MMsINC Database Search


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MMsINC code: MMs03538045

Type: Neutral
Formula: C₁₂H₅Cl₅O

SMILES:

Clc1cc(Cl)cc(Cl)c1Oc1ccc(Cl)cc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6316 kcal/mol

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

Topological Properties
Globularity: 0.159708	Sterimol/B1: 2.5595	Sterimol/B2: 4.72304	Sterimol/B3: 4.77697
Sterimol/B4: 6.52707	Sterimol/L: 14.1055

Surface and Volume Properties
Accessible surface: 488.157	Positive charged surface: 103.789	Negative charged surface: 384.368	Volume: 252.625
Hydrophobic surface: 488.157	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.