MMsINC Database Search


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MMsINC code: MMs02136390

Type: Neutral
Formula: C₁₁H₁₁NO₂S₂

SMILES:

s1cccc1CNS(=O)(=O)c1ccccc1

InChI:

InChI=1/C11H11NO2S2/c13-16(14,11-6-2-1-3-7-11)12-9-10-5-4-8-15-10/h1-8,12H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.67852 kcal/mol

Physical Properties
Molecular Weight: 253.346 g/mol	logS: -2.79743	SlogP: 2.493	Reactive groups: 0

Topological Properties
Globularity: 0.126422	Sterimol/B1: 2.33303	Sterimol/B2: 3.56666	Sterimol/B3: 4.0002
Sterimol/B4: 5.67398	Sterimol/L: 13.9646

Surface and Volume Properties
Accessible surface: 450.893	Positive charged surface: 198.644	Negative charged surface: 252.249	Volume: 220
Hydrophobic surface: 366.35	Hydrophilic surface: 84.543

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.