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MMsINC code: MMs01074402

Type: Neutral
Formula: C₁₅H₁₃NO₃

SMILES:

OC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.4146 kcal/mol

Physical Properties
Molecular Weight: 255.273 g/mol	logS: -3.38574	SlogP: 2.56597	Reactive groups: 0

Topological Properties
Globularity: 0.0603087	Sterimol/B1: 2.75049	Sterimol/B2: 3.35429	Sterimol/B3: 4.11713
Sterimol/B4: 5.4998	Sterimol/L: 15.5571

Surface and Volume Properties
Accessible surface: 488.45	Positive charged surface: 284.288	Negative charged surface: 204.162	Volume: 244.375
Hydrophobic surface: 354.152	Hydrophilic surface: 134.298

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

MMs01074403
CHEMSTAR-ZINC00282519