MMsINC Database Search


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MMsINC code: MMs03384975

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1cc(Oc2cc(Cl)c(Cl)cc2)ccc1Cl

InChI:

InChI=1/C12H6Cl4O/c13-9-3-1-7(5-11(9)15)17-8-2-4-10(14)12(16)6-8/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7902 kcal/mol

Physical Properties
Molecular Weight: 307.991 g/mol	logS: -6.10475	SlogP: 6.0925	Reactive groups: 0

Topological Properties
Globularity: 0.137176	Sterimol/B1: 3.34544	Sterimol/B2: 3.60988	Sterimol/B3: 4.46657
Sterimol/B4: 4.65866	Sterimol/L: 14.4216

Surface and Volume Properties
Accessible surface: 470.814	Positive charged surface: 131.105	Negative charged surface: 339.709	Volume: 238.25
Hydrophobic surface: 470.814	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.