(S)-NATEGLINIDE

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Synonyms
Molecule Category Free-form
UNII E9V3S85RHY
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 OELFLUMRDSZNSF-ULQDDVLXSA-N
Smiles CC(C)[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](Cc2ccccc2)C(=O)O
InChI
InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H27NO3
Molecular Weight 317.42
AlogP 3.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 66.4
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEMBL CHEMBL249263
FDA SRS E9V3S85RHY
SureChEMBL SCHEMBL3182743
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