MMsINC Database Search


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MMsINC code: MMs02972654

Type: Neutral
Formula: C₁₉H₁₂Cl₃NO₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1

InChI:

InChI=1/C19H12Cl3NO2/c20-12-1-6-15(7-2-12)25-16-8-4-14(5-9-16)23-19(24)17-10-3-13(21)11-18(17)22/h1-11H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6727 kcal/mol

Physical Properties
Molecular Weight: 392.669 g/mol	logS: -7.34045	SlogP: 6.6914	Reactive groups: 0

Topological Properties
Globularity: 0.062312	Sterimol/B1: 3.85462	Sterimol/B2: 4.09599	Sterimol/B3: 4.73925
Sterimol/B4: 4.90624	Sterimol/L: 19.8555

Surface and Volume Properties
Accessible surface: 616.529	Positive charged surface: 237.994	Negative charged surface: 378.536	Volume: 330.5
Hydrophobic surface: 589.107	Hydrophilic surface: 27.422

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.