MMsINC Database Search


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MMsINC code: MMs02213018

Type: Neutral
Formula: C₁₆H₁₂N₂O₃

SMILES:

Oc1c2c(cc(nc2)C(=O)Nc2ccccc2)ccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.6767 kcal/mol

Physical Properties
Molecular Weight: 280.283 g/mol	logS: -3.40363	SlogP: 2.8983	Reactive groups: 0

Topological Properties
Globularity: 0.0119946	Sterimol/B1: 2.57293	Sterimol/B2: 2.72216	Sterimol/B3: 4.04711
Sterimol/B4: 4.31246	Sterimol/L: 17.03

Surface and Volume Properties
Accessible surface: 499.946	Positive charged surface: 294.788	Negative charged surface: 196.239	Volume: 258.625
Hydrophobic surface: 351.763	Hydrophilic surface: 148.183

Pharmacophoric Properties
Hydrogen bond donors: 3	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.