MMsINC Database Search


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MMsINC code: MMs03538309

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1c(ccc(O)c1Cl)-c1cc(Cl)c(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5427 kcal/mol

Physical Properties
Molecular Weight: 307.991 g/mol	logS: -6.38647	SlogP: 5.6728	Reactive groups: 0

Topological Properties
Globularity: 0.0536456	Sterimol/B1: 2.13489	Sterimol/B2: 3.401	Sterimol/B3: 3.81399
Sterimol/B4: 5.50749	Sterimol/L: 13.9388

Surface and Volume Properties
Accessible surface: 458.119	Positive charged surface: 141.986	Negative charged surface: 311.941	Volume: 236.625
Hydrophobic surface: 412.988	Hydrophilic surface: 45.131

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.