MMsINC Database Search


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MMsINC code: MMs03538047

Type: Neutral
Formula: C₁₂H₆Cl₄O₂

SMILES:

Clc1cc(Cl)ccc1Oc1cc(Cl)c(Cl)cc1O

InChI:

InChI=1/C12H6Cl4O2/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5417 kcal/mol

Physical Properties
Molecular Weight: 323.99 g/mol	logS: -5.7428	SlogP: 5.7981	Reactive groups: 0

Topological Properties
Globularity: 0.160812	Sterimol/B1: 2.46122	Sterimol/B2: 2.91503	Sterimol/B3: 4.86472
Sterimol/B4: 5.53285	Sterimol/L: 14.1156

Surface and Volume Properties
Accessible surface: 488.002	Positive charged surface: 141.042	Negative charged surface: 346.96	Volume: 243.5
Hydrophobic surface: 444.247	Hydrophilic surface: 43.755

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.