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MMsINC code: MMs02217038

Type: Neutral
Formula: C₁₅H₁₄ClNO

SMILES:

Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C15H14ClNO/c1-17(11-12-5-3-2-4-6-12)15(18)13-7-9-14(16)10-8-13/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9821 kcal/mol

Physical Properties
Molecular Weight: 259.736 g/mol	logS: -3.92721	SlogP: 3.8786	Reactive groups: 0

Topological Properties
Globularity: 0.0991834	Sterimol/B1: 2.30476	Sterimol/B2: 3.19051	Sterimol/B3: 4.09733
Sterimol/B4: 5.9933	Sterimol/L: 14.9043

Surface and Volume Properties
Accessible surface: 474.773	Positive charged surface: 251.802	Negative charged surface: 222.97	Volume: 251
Hydrophobic surface: 442.409	Hydrophilic surface: 32.364

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.