MMsINC Database Search


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MMsINC code: MMs00615259

Type: Neutral
Formula: C₁₆H₁₂N₂O₃

SMILES:

o1c(nc(\C=N\c2ccccc2O)c1O)-c1ccccc1

InChI:

InChI=1/C16H12N2O3/c19-14-9-5-4-8-12(14)17-10-13-16(20)21-15(18-13)11-6-2-1-3-7-11/h1-10,19-20H/b17-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1378 kcal/mol

Physical Properties
Molecular Weight: 280.283 g/mol	logS: -4.55009	SlogP: 3.5034	Reactive groups: 0

Topological Properties
Globularity: 0.0362022	Sterimol/B1: 2.98084	Sterimol/B2: 3.24037	Sterimol/B3: 3.92647
Sterimol/B4: 6.7158	Sterimol/L: 16.8503

Surface and Volume Properties
Accessible surface: 528.903	Positive charged surface: 315.069	Negative charged surface: 213.833	Volume: 261
Hydrophobic surface: 370.548	Hydrophilic surface: 158.355

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.