MMsINC Database Search


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MMsINC code: MMs02886363

Type: Neutral
Formula: C₁₂H₅Cl₅O

SMILES:

Clc1cc(Cl)c(Cl)cc1-c1cc(Cl)c(O)c(Cl)c1

InChI:

InChI=1/C12H5Cl5O/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6856 kcal/mol

Physical Properties
Molecular Weight: 342.436 g/mol	logS: -7.12076	SlogP: 6.3262	Reactive groups: 0

Topological Properties
Globularity: 0.0563263	Sterimol/B1: 2.72042	Sterimol/B2: 3.42898	Sterimol/B3: 3.75876
Sterimol/B4: 5.59097	Sterimol/L: 13.9425

Surface and Volume Properties
Accessible surface: 484.388	Positive charged surface: 112.546	Negative charged surface: 367.87	Volume: 252.125
Hydrophobic surface: 443.506	Hydrophilic surface: 40.882

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.