MMsINC Database Search


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MMsINC code: MMs03538049

Type: Neutral
Formula: C₁₂H₆Cl₄O₂

SMILES:

Clc1c(O)c(Oc2ccc(Cl)cc2Cl)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9403 kcal/mol

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

Topological Properties
Globularity: 0.166934	Sterimol/B1: 2.34891	Sterimol/B2: 3.5072	Sterimol/B3: 4.70733
Sterimol/B4: 5.65525	Sterimol/L: 14.113

Surface and Volume Properties
Accessible surface: 485.726	Positive charged surface: 142.746	Negative charged surface: 342.981	Volume: 245.5
Hydrophobic surface: 447.125	Hydrophilic surface: 38.601

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.