MMsINC Database Search


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

MMsINC code: MMs02418451

Type: Neutral
Formula: C₁₂H₁₀ClNOS

SMILES:

Clc1ccc(NS(=O)c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3559 kcal/mol

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

Topological Properties
Globularity: 0.0581923	Sterimol/B1: 2.93948	Sterimol/B2: 3.02911	Sterimol/B3: 3.21371
Sterimol/B4: 4.09817	Sterimol/L: 15.5789

Surface and Volume Properties
Accessible surface: 450.788	Positive charged surface: 202.37	Negative charged surface: 248.419	Volume: 221.125
Hydrophobic surface: 399.528	Hydrophilic surface: 51.26

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.