MMsINC Database Search


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

MMsINC code: MMs03670403

Type: Neutral
Formula: C₁₂H₁₁ClN₂O₂S

SMILES:

Clc1ncc(S(=O)(=O)NCc2ccccc2)cc1

InChI:

InChI=1/C12H11ClN2O2S/c13-12-7-6-11(9-14-12)18(16,17)15-8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.2094 kcal/mol

Physical Properties
Molecular Weight: 282.751 g/mol	logS: -2.77817	SlogP: 2.4799	Reactive groups: 0

Topological Properties
Globularity: 0.0933075	Sterimol/B1: 3.44622	Sterimol/B2: 3.62459	Sterimol/B3: 3.9901
Sterimol/B4: 5.34864	Sterimol/L: 15.042

Surface and Volume Properties
Accessible surface: 485.046	Positive charged surface: 211.933	Negative charged surface: 273.113	Volume: 239.5
Hydrophobic surface: 376.938	Hydrophilic surface: 108.108

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.