MMsINC Database Search


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

MMsINC code: MMs02418452

Type: Neutral
Formula: C₁₂H₁₀ClNOS

SMILES:

Clc1ccccc1NS(=O)c1ccccc1

InChI:

InChI=1/C12H10ClNOS/c13-11-8-4-5-9-12(11)14-16(15)10-6-2-1-3-7-10/h1-9,14H/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.1096 kcal/mol

Physical Properties
Molecular Weight: 251.737 g/mol	logS: -3.93049	SlogP: 3.4747	Reactive groups: 0

Topological Properties
Globularity: 0.0166873	Sterimol/B1: 2.12467	Sterimol/B2: 3.87073	Sterimol/B3: 4.34303
Sterimol/B4: 4.38884	Sterimol/L: 14.36

Surface and Volume Properties
Accessible surface: 445.952	Positive charged surface: 197.433	Negative charged surface: 248.52	Volume: 221.875
Hydrophobic surface: 395.357	Hydrophilic surface: 50.595

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.