MMsINC Database Search


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MMsINC code: MMs03538294

Type: Neutral
Formula: C₁₂H₆Cl₄O

SMILES:

Clc1c(O)cc(cc1Cl)-c1cc(Cl)c(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6013 kcal/mol

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

Topological Properties
Globularity: 0.00327047	Sterimol/B1: 2.11948	Sterimol/B2: 2.24868	Sterimol/B3: 3.75174
Sterimol/B4: 6.03662	Sterimol/L: 14.5765

Surface and Volume Properties
Accessible surface: 461.131	Positive charged surface: 116.463	Negative charged surface: 333.597	Volume: 235
Hydrophobic surface: 414.825	Hydrophilic surface: 46.306

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.