MMsINC Database Search


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

MMsINC code: MMs00175787

Type: Neutral
Formula: C₁₀H₇Cl₂NO₂S₂

SMILES:

Clc1ccc(NS(=O)(=O)c2sc(Cl)cc2)cc1

InChI:

InChI=1/C10H7Cl2NO2S2/c11-7-1-3-8(4-2-7)13-17(14,15)10-6-5-9(12)16-10/h1-6,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2239 kcal/mol

Physical Properties
Molecular Weight: 308.209 g/mol	logS: -4.79157	SlogP: 3.8557	Reactive groups: 0

Topological Properties
Globularity: 0.265902	Sterimol/B1: 2.49203	Sterimol/B2: 4.63201	Sterimol/B3: 4.79695
Sterimol/B4: 5.07244	Sterimol/L: 12.8844

Surface and Volume Properties
Accessible surface: 461.515	Positive charged surface: 140.984	Negative charged surface: 320.531	Volume: 231.25
Hydrophobic surface: 378.343	Hydrophilic surface: 83.172

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.