MMsINC Database Search


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MMsINC code: MMs01509672

Type: Neutral
Formula: C₁₅H₁₂Cl₃NO

SMILES:

Clc1cccc(Cl)c1CC(=O)NCc1ccccc1Cl

InChI:

InChI=1/C15H12Cl3NO/c16-12-5-2-1-4-10(12)9-19-15(20)8-11-13(17)6-3-7-14(11)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)=44.8432 kcal/mol

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

Topological Properties
Globularity: 0.0408012	Sterimol/B1: 3.1441	Sterimol/B2: 3.2875	Sterimol/B3: 3.50718
Sterimol/B4: 5.95738	Sterimol/L: 16.2595

Surface and Volume Properties
Accessible surface: 534.313	Positive charged surface: 220.505	Negative charged surface: 313.807	Volume: 280.25
Hydrophobic surface: 495.341	Hydrophilic surface: 38.972

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.