MMsINC Database Search


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MMsINC code: MMs03538209

Type: Neutral
Formula: C₁₂H₅Cl₅O

SMILES:

Clc1c(Cl)cc(Oc2cc(Cl)c(Cl)cc2)cc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.783 kcal/mol

Physical Properties
Molecular Weight: 342.436 g/mol	logS: -6.83904	SlogP: 6.7459	Reactive groups: 0

Topological Properties
Globularity: 0.150634	Sterimol/B1: 3.36093	Sterimol/B2: 4.48329	Sterimol/B3: 4.71145
Sterimol/B4: 4.74497	Sterimol/L: 14.4318

Surface and Volume Properties
Accessible surface: 492.631	Positive charged surface: 115.543	Negative charged surface: 377.087	Volume: 252.25
Hydrophobic surface: 492.631	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.