MMsINC Database Search


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MMsINC code: MMs00544330

Type: Neutral
Formula: C₁₅H₁₂N₂O₃

SMILES:

o1cccc1CNC(=O)C(=O)c1c2c([nH]c1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3753 kcal/mol

Physical Properties
Molecular Weight: 268.272 g/mol	logS: -3.67173	SlogP: 2.5264	Reactive groups: 0

Topological Properties
Globularity: 0.0216588	Sterimol/B1: 2.53021	Sterimol/B2: 3.04627	Sterimol/B3: 3.4482
Sterimol/B4: 6.08992	Sterimol/L: 16.6779

Surface and Volume Properties
Accessible surface: 502.855	Positive charged surface: 255.515	Negative charged surface: 241.496	Volume: 248.25
Hydrophobic surface: 362.684	Hydrophilic surface: 140.171

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.