EcoDrugPlus


Synonyms	des-methyl levofloxacin
Molecule Category	Free-form
UNII	88ZBA45NC8
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

des-methyl levofloxacin

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	WKRSSAPQZDHYRV-VIFPVBQESA-N
Smiles	C[C@H]1COc2c(N3CCNCC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
InChI	InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1

InChI Key

WKRSSAPQZDHYRV-VIFPVBQESA-N

Smiles

C[C@H]1COc2c(N3CCNCC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O

InChI

InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)/t9-/m0/s1

Property Name	Value
Molecular Formula	C17H18FN3O4
Molecular Weight	347.34
AlogP	-1.58
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	82.11
Molecular species	ZWITTERION
Aromatic Rings	1.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C17H18FN3O4

Molecular Weight

347.34

AlogP

-1.58

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

82.11

Molecular species

ZWITTERION

Aromatic Rings

1.0

Heavy Atoms

25.0

Resources	Reference
ChEMBL	CHEMBL1459
FDA SRS	88ZBA45NC8
PubChem	10958963
SureChEMBL	SCHEMBL5021672
ZINC	ZINC22056381

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

N-DESMETHYL LEVOFLOXACIN

Structure

Physicochemical Descriptors

Cross References