MMsINC Database Search


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

MMsINC code: MMs00055444

Type: Neutral
Formula: C₁₄H₆Cl₄O₃

SMILES:

Clc1cc(Cl)cc(C=O)c1OC(=O)c1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C14H6Cl4O3/c15-9-3-8(6-19)13(12(18)5-9)21-14(20)7-1-2-10(16)11(17)4-7/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7159 kcal/mol

Physical Properties
Molecular Weight: 364.011 g/mol	logS: -6.44221	SlogP: 5.3319	Reactive groups: 1

Topological Properties
Globularity: 0.099578	Sterimol/B1: 2.46926	Sterimol/B2: 4.61646	Sterimol/B3: 5.29761
Sterimol/B4: 6.15478	Sterimol/L: 16.609

Surface and Volume Properties
Accessible surface: 526.224	Positive charged surface: 146.158	Negative charged surface: 380.065	Volume: 275.25
Hydrophobic surface: 446.619	Hydrophilic surface: 79.605

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.