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MMsINC code: MMs00264253

Type: Neutral
Formula: C₁₆H₁₃NO₂

SMILES:

OC1=CC(=O)N(c2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C16H13NO2/c18-15-10-16(19)17(11-12-6-2-1-3-7-12)14-9-5-4-8-13(14)15/h1-10,18H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9797 kcal/mol

Physical Properties
Molecular Weight: 251.285 g/mol	logS: -3.55118	SlogP: 3.3987	Reactive groups: 0

Topological Properties
Globularity: 0.1402	Sterimol/B1: 2.19808	Sterimol/B2: 4.65035	Sterimol/B3: 4.96323
Sterimol/B4: 5.40801	Sterimol/L: 11.9802

Surface and Volume Properties
Accessible surface: 452.925	Positive charged surface: 251.02	Negative charged surface: 201.905	Volume: 246
Hydrophobic surface: 369.269	Hydrophilic surface: 83.656

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.