MMsINC Database Search


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MMsINC code: MMs02278551

Type: Neutral
Formula: C₁₆H₁₂N₂O₃

SMILES:

Oc1cc2cc(ncc2cc1O)C(=O)Nc1ccccc1

InChI:

InChI=1/C16H12N2O3/c19-14-7-10-6-13(17-9-11(10)8-15(14)20)16(21)18-12-4-2-1-3-5-12/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)=90.6441 kcal/mol

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

Topological Properties
Globularity: 0.00981959	Sterimol/B1: 2.50165	Sterimol/B2: 2.70363	Sterimol/B3: 3.48307
Sterimol/B4: 4.75973	Sterimol/L: 16.9544

Surface and Volume Properties
Accessible surface: 502.942	Positive charged surface: 295.827	Negative charged surface: 198.196	Volume: 256.375
Hydrophobic surface: 348.293	Hydrophilic surface: 154.649

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.