MMsINC Database Search


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MMsINC code: MMs01223897

Type: Neutral
Formula: C₁₃H₁₂ClNO₂S

SMILES:

Clc1ccc(cc1)CNS(=O)(=O)c1ccccc1

InChI:

InChI=1/C13H12ClNO2S/c14-12-8-6-11(7-9-12)10-15-18(16,17)13-4-2-1-3-5-13/h1-9,15H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.5593 kcal/mol

Physical Properties
Molecular Weight: 281.763 g/mol	logS: -3.72505	SlogP: 3.0849	Reactive groups: 0

Topological Properties
Globularity: 0.105893	Sterimol/B1: 3.17901	Sterimol/B2: 3.36544	Sterimol/B3: 4.87126
Sterimol/B4: 5.56628	Sterimol/L: 15.2841

Surface and Volume Properties
Accessible surface: 488.572	Positive charged surface: 211.146	Negative charged surface: 277.425	Volume: 246.125
Hydrophobic surface: 404.864	Hydrophilic surface: 83.708

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.