PUBCHEM-ZINC01529790

MMsINC code: MMs02813046

• Type: Neutral
• Formula: C₃H₈O₃S₂
• SMILES: S(CCS(O)(=O)=O)C
• InChI: InChI=1/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)

Potential Energy
Epot(MMFF94)=-6.06337 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.226 g/mol
• logS: -0.60297
• SlogP: -0.3285
• Reactive groups: 0

Topological Properties

• Globularity: 0.0756727
• Sterimol/B1: 2.85597
• Sterimol/B2: 3.04581
• Sterimol/B3: 3.04783
• Sterimol/B4: 3.30619
• Sterimol/L: 11.3298

Surface and Volume Properties

• Accessible surface: 316.68
• Positive charged surface: 157.423
• Negative charged surface: 159.257
• Volume: 121.375
• Hydrophobic surface: 153.865
• Hydrophilic surface: 162.815

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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