MMsINC Database Search


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

MMsINC code: MMs02996586

Type: Neutral
Formula: C₁₀H₄Cl₆O₄

SMILES:

ClC(Cl)(Cl)C(Oc1ccc(OC(=O)C(Cl)(Cl)Cl)cc1)=O

InChI:

InChI=1/C10H4Cl6O4/c11-9(12,13)7(17)19-5-1-2-6(4-3-5)20-8(18)10(14,15)16/h1-4H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6708 kcal/mol

Physical Properties
Molecular Weight: 400.856 g/mol	logS: -6.89272	SlogP: 5.0776	Reactive groups: 0

Topological Properties
Globularity: 0.045879	Sterimol/B1: 2.5845	Sterimol/B2: 3.32539	Sterimol/B3: 3.65636
Sterimol/B4: 4.8253	Sterimol/L: 15.9408

Surface and Volume Properties
Accessible surface: 543.837	Positive charged surface: 83.8549	Negative charged surface: 459.982	Volume: 272.875
Hydrophobic surface: 135.06	Hydrophilic surface: 408.777

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.