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MMsINC code: MMs00929820

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

Oc1ccc(N2Cc3c(C2)cccc3)cc1C(O)=O

InChI:

InChI=1/C15H13NO3/c17-14-6-5-12(7-13(14)15(18)19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17H,8-9H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.143 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -2.81004	SlogP: 3.1434	Reactive groups: 0

Topological Properties
Globularity: 0.0185534	Sterimol/B1: 2.12179	Sterimol/B2: 3.18327	Sterimol/B3: 4.21144
Sterimol/B4: 5.08974	Sterimol/L: 14.3075

Surface and Volume Properties
Accessible surface: 460.109	Positive charged surface: 282.659	Negative charged surface: 177.45	Volume: 237.375
Hydrophobic surface: 311.056	Hydrophilic surface: 149.053

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00929821
CHEMDIV-ZINC04151288