(2S,3S)-2-FLUORO-N-HYDROXY-3-((S)-2-(PIPERIDINE-1-CARBONYL)PYRROLIDINE-1-CARBONYL)HEPTANAMIDE

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Molecule Category Free-form
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 ...

Structure

InChI Key LNKFMVNRJIVMMS-ILXRZTDVSA-N
Smiles CCCC[C@H]([C@H](F)C(=O)NO)C(=O)N1CCC[C@H]1C(=O)N2CCCCC2
InChI
InChI=1S/C18H30FN3O4/c1-2-3-8-13(15(19)16(23)20-26)17(24)22-12-7-9-14(22)18(25)21-10-5-4-6-11-21/h13-15,26H,2-12H2,1H3,(H,20,23)/t13-,14+,15+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H30FN3O4
Molecular Weight 371.45
AlogP 1.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 89.95
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL2237201
PubChem 23520299
SureChEMBL SCHEMBL6862989
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