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MMsINC code: MMs02333419

Type: Tautomer
Formula: C₁₅H₁₂N₂O₃

SMILES:

O=C(CC(=O)NC(=O)c1ccccc1)c1cccnc1

InChI:

InChI=1/C15H12N2O3/c18-13(12-7-4-8-16-10-12)9-14(19)17-15(20)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6262 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -2.64135	SlogP: 1.611	Reactive groups: 0

Topological Properties
Globularity: 0.002508	Sterimol/B1: 2.37374	Sterimol/B2: 2.37535	Sterimol/B3: 3.36082
Sterimol/B4: 4.7376	Sterimol/L: 17.3317

Surface and Volume Properties
Accessible surface: 499.948	Positive charged surface: 292.615	Negative charged surface: 207.332	Volume: 252.375
Hydrophobic surface: 379.779	Hydrophilic surface: 120.169

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

search links for this molecule:

Parent related molecule:

MMs02333417
NCID-ZINC01704683