MMsINC Database Search


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MMsINC code: MMs00051486

Type: Neutral
Formula: C₈H₁₀O₂S₂

SMILES:

S(SCc1ccccc1)(=O)(=O)C

InChI:

InChI=1/C8H10O2S2/c1-12(9,10)11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9211 kcal/mol

Physical Properties
Molecular Weight: 202.298 g/mol	logS: -2.57341	SlogP: 2.1458	Reactive groups: 0

Topological Properties
Globularity: 0.111528	Sterimol/B1: 2.66668	Sterimol/B2: 3.67483	Sterimol/B3: 4.37355
Sterimol/B4: 4.37896	Sterimol/L: 11.1923

Surface and Volume Properties
Accessible surface: 365.442	Positive charged surface: 181.877	Negative charged surface: 183.566	Volume: 176.375
Hydrophobic surface: 265.011	Hydrophilic surface: 100.431

Pharmacophoric Properties
Hydrogen bond donors: 0	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.