MMsINC Database Search


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MMsINC code: MMs00090815

Type: Neutral
Formula: C₁₅H₁₂N₂O₂

SMILES:

o1c2c(nc1-c1ccccc1)cc(NC(=O)C)cc2

InChI:

InChI=1/C15H12N2O2/c1-10(18)16-12-7-8-14-13(9-12)17-15(19-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2243 kcal/mol

Physical Properties
Molecular Weight: 252.273 g/mol	logS: -4.91	SlogP: 3.4532	Reactive groups: 0

Topological Properties
Globularity: 0.00655128	Sterimol/B1: 2.41562	Sterimol/B2: 2.56511	Sterimol/B3: 2.91639
Sterimol/B4: 6.29378	Sterimol/L: 16.4539

Surface and Volume Properties
Accessible surface: 482.992	Positive charged surface: 279.838	Negative charged surface: 203.154	Volume: 240.375
Hydrophobic surface: 394.509	Hydrophilic surface: 88.483

Pharmacophoric Properties
Hydrogen bond donors: 1	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.