MMsINC Database Search


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MMsINC code: MMs00116251

Type: Neutral
Formula: C₁₅H₁₂Cl₃NO₂

SMILES:

Clc1cc(Cl)ccc1OCC(=O)NCc1ccc(Cl)cc1

InChI:

InChI=1/C15H12Cl3NO2/c16-11-3-1-10(2-4-11)8-19-15(20)9-21-14-6-5-12(17)7-13(14)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)=57.7757 kcal/mol

Physical Properties
Molecular Weight: 344.625 g/mol	logS: -5.5786	SlogP: 4.6084	Reactive groups: 0

Topological Properties
Globularity: 0.0433219	Sterimol/B1: 2.41999	Sterimol/B2: 4.40971	Sterimol/B3: 4.70266
Sterimol/B4: 4.81819	Sterimol/L: 19.005

Surface and Volume Properties
Accessible surface: 575.797	Positive charged surface: 236.536	Negative charged surface: 339.26	Volume: 289
Hydrophobic surface: 517.104	Hydrophilic surface: 58.693

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.