MMsINC Database Search


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

MMsINC code: MMs01984852

Type: Neutral
Formula: C₁₄H₈Cl₄O₂

SMILES:

Clc1cc(Cl)cc(Cl)c1C(=O)COc1ccc(Cl)cc1

InChI:

InChI=1/C14H8Cl4O2/c15-8-1-3-10(4-2-8)20-7-13(19)14-11(17)5-9(16)6-12(14)18/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.3778 kcal/mol

Physical Properties
Molecular Weight: 350.028 g/mol	logS: -6.47167	SlogP: 5.5619	Reactive groups: 0

Topological Properties
Globularity: 0.00405016	Sterimol/B1: 2.37299	Sterimol/B2: 2.37711	Sterimol/B3: 3.67094
Sterimol/B4: 5.44437	Sterimol/L: 17.1043

Surface and Volume Properties
Accessible surface: 516.298	Positive charged surface: 161.28	Negative charged surface: 355.017	Volume: 270.625
Hydrophobic surface: 482.181	Hydrophilic surface: 34.117

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.