EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	LJG8KL1435

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

LJG8KL1435


InChI Key	LEILBPMISZFZQK-GFCCVEGCSA-N
Smiles	Cc1c(N2C[C@@H](N)C3(CC3)C2)c(F)c(N)c4C(=O)C(=CN(C5CC5)c14)C(O)=O
InChI	InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1

InChI Key

LEILBPMISZFZQK-GFCCVEGCSA-N

Smiles

Cc1c(N2C[C@@H](N)C3(CC3)C2)c(F)c(N)c4C(=O)C(=CN(C5CC5)c14)C(O)=O

InChI

InChI=1S/C20H23FN4O3/c1-9-16-13(18(26)11(19(27)28)6-25(16)10-2-3-10)15(23)14(21)17(9)24-7-12(22)20(8-24)4-5-20/h6,10,12H,2-5,7-8,22-23H2,1H3,(H,27,28)/t12-/m1/s1

Property Name	Value
Molecular Formula	C20H23F1N4O3
Molecular Weight	386.18
AlogP	1.99
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	114.58
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C20H23F1N4O3

Molecular Weight

386.18

AlogP

1.99

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

114.58

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	167887-97-0
NORMAN SUSDAT
FDA SRS	LJG8KL1435

Resources

Reference

CAS NUMBER

167887-97-0

NORMAN SUSDAT

FDA SRS

LJG8KL1435

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OLAMUFLOXACIN

Structure

Physicochemical Descriptors

Cross References