(2S,3S)-2-FLUORO-N-HYDROXY-3-((S)-2-(MORPHOLINE-4-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 JVPNDTASPHAJLQ-RDBSUJKOSA-N
Smiles CCCC[C@H]([C@H](F)C(=O)NO)C(=O)N1CCC[C@H]1C(=O)N2CCOCC2
InChI
InChI=1S/C17H28FN3O5/c1-2-3-5-12(14(18)15(22)19-25)16(23)21-7-4-6-13(21)17(24)20-8-10-26-11-9-20/h12-14,25H,2-11H2,1H3,(H,19,22)/t12-,13+,14+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28FN3O5
Molecular Weight 373.42
AlogP 0.48
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 99.18
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 26.0

Cross References

Resources Reference
ChEMBL CHEMBL2237202
PubChem 23520294
SureChEMBL SCHEMBL6861619
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