MMsINC Database Search


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MMsINC code: MMs02308214

Type: Neutral
Formula: C₁₂H₄Cl₆O

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1c(Cl)cc(Cl)cc1Cl

InChI:

InChI=1/C12H4Cl6O/c13-5-1-7(15)11(8(16)2-5)19-12-9(17)3-6(14)4-10(12)18/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3608 kcal/mol

Physical Properties
Molecular Weight: 376.881 g/mol	logS: -7.57333	SlogP: 7.3993	Reactive groups: 0

Topological Properties
Globularity: 0.119174	Sterimol/B1: 3.70832	Sterimol/B2: 3.73305	Sterimol/B3: 3.73597
Sterimol/B4: 5.36396	Sterimol/L: 14.106

Surface and Volume Properties
Accessible surface: 477.119	Positive charged surface: 101.799	Negative charged surface: 375.32	Volume: 265.625
Hydrophobic surface: 477.119	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.