MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02886364

Type: Neutral
Formula: C₁₂H₄Cl₆O

SMILES:

Clc1c(cc(Cl)c(Cl)c1Cl)-c1cc(Cl)c(O)c(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0355 kcal/mol

Physical Properties
Molecular Weight: 376.881 g/mol	logS: -7.85505	SlogP: 6.9796	Reactive groups: 0

Topological Properties
Globularity: 0.0576875	Sterimol/B1: 2.676	Sterimol/B2: 3.43334	Sterimol/B3: 3.86178
Sterimol/B4: 5.66649	Sterimol/L: 13.9416

Surface and Volume Properties
Accessible surface: 500.628	Positive charged surface: 103.384	Negative charged surface: 393.271	Volume: 265.625
Hydrophobic surface: 459.746	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.