MMsINC Database Search


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MMsINC code: MMs01510387

Type: Neutral
Formula: C₁₅H₁₂Cl₃NO

SMILES:

Clc1cccc(Cl)c1CC(=O)NCc1cc(Cl)ccc1

InChI:

InChI=1/C15H12Cl3NO/c16-11-4-1-3-10(7-11)9-19-15(20)8-12-13(17)5-2-6-14(12)18/h1-7H,8-9H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.4656 kcal/mol

Physical Properties
Molecular Weight: 328.626 g/mol	logS: -5.56325	SlogP: 4.77207	Reactive groups: 0

Topological Properties
Globularity: 0.0399428	Sterimol/B1: 2.99011	Sterimol/B2: 3.3125	Sterimol/B3: 3.47162
Sterimol/B4: 6.01877	Sterimol/L: 16.2616

Surface and Volume Properties
Accessible surface: 546.122	Positive charged surface: 218.532	Negative charged surface: 327.59	Volume: 280.75
Hydrophobic surface: 505.906	Hydrophilic surface: 40.216

Pharmacophoric Properties
Hydrogen bond donors: 1	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.