MMsINC Database Search


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

MMsINC code: MMs03174323

Type: Neutral
Formula: C₁₂H₇Cl₂F₂NO₂S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)cc(F)c1

InChI:

InChI=1/C12H7Cl2F2NO2S/c13-7-1-2-11(14)12(3-7)20(18,19)17-10-5-8(15)4-9(16)6-10/h1-6,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.6893 kcal/mol

Physical Properties
Molecular Weight: 338.161 g/mol	logS: -5.10526	SlogP: 4.0724	Reactive groups: 0

Topological Properties
Globularity: 0.335323	Sterimol/B1: 3.4997	Sterimol/B2: 4.06497	Sterimol/B3: 5.23987
Sterimol/B4: 5.856	Sterimol/L: 10.7923

Surface and Volume Properties
Accessible surface: 469.098	Positive charged surface: 147.788	Negative charged surface: 321.31	Volume: 248.75
Hydrophobic surface: 396.13	Hydrophilic surface: 72.968

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.