MMsINC Database Search


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MMsINC code: MMs03541576

Type: Neutral
Formula: C₁₂H₅Cl₅O

SMILES:

Clc1c(-c2ccccc2Cl)c(O)c(Cl)c(Cl)c1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.108 kcal/mol

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

Topological Properties
Globularity: 0.162594	Sterimol/B1: 2.42153	Sterimol/B2: 4.60868	Sterimol/B3: 4.81021
Sterimol/B4: 5.89742	Sterimol/L: 13.3712

Surface and Volume Properties
Accessible surface: 470.125	Positive charged surface: 127.769	Negative charged surface: 342.075	Volume: 251
Hydrophobic surface: 438.249	Hydrophilic surface: 31.876

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.