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MMsINC code: MMs00492184

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1ccc(cc1NC(=O)c1ccccc1)C

InChI:

InChI=1/C15H13NO3/c1-10-7-8-12(15(18)19)13(9-10)16-14(17)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5715 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.79819	SlogP: 2.94552	Reactive groups: 0

Topological Properties
Globularity: 0.0305532	Sterimol/B1: 2.28712	Sterimol/B2: 2.5223	Sterimol/B3: 3.04247
Sterimol/B4: 8.31863	Sterimol/L: 14.2639

Surface and Volume Properties
Accessible surface: 471.222	Positive charged surface: 268.909	Negative charged surface: 202.313	Volume: 243.75
Hydrophobic surface: 354.961	Hydrophilic surface: 116.261

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

MMs00492185
CHEMBLOCK-ZINC00061641