MMsINC Database Search


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MMsINC code: MMs01686836

Type: Neutral
Formula: C₁₃H₁₂ClNO₂S₂

SMILES:

Clc1ccccc1S(=O)(=O)Nc1ccccc1SC

InChI:

InChI=1/C13H12ClNO2S2/c1-18-12-8-4-3-7-11(12)15-19(16,17)13-9-5-2-6-10(13)14/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.4949 kcal/mol

Physical Properties
Molecular Weight: 313.829 g/mol	logS: -4.80241	SlogP: 3.8627	Reactive groups: 0

Topological Properties
Globularity: 0.0969275	Sterimol/B1: 3.54934	Sterimol/B2: 3.99006	Sterimol/B3: 4.50932
Sterimol/B4: 5.6039	Sterimol/L: 13.935

Surface and Volume Properties
Accessible surface: 485.125	Positive charged surface: 204.056	Negative charged surface: 281.069	Volume: 260.625
Hydrophobic surface: 381.964	Hydrophilic surface: 103.161

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

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Ions/Tautomers related molecules: no related molecules available.