PUBCHEM-ZINC02510887

MMsINC code: MMs02891019

• Type: Neutral
• Formula: C₅H₁₂O₆S
• SMILES: S(OCCOCCOC)(O)(=O)=O
• InChI: InChI=1/C5H12O6S/c1-9-2-3-10-4-5-11-12(6,7)8/h2-5H2,1H3,(H,6,7,8)

Potential Energy
Epot(MMFF94)=8.39893 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 200.211 g/mol
• logS: -0.15093
• SlogP: -1.0969
• Reactive groups: 0

Topological Properties

• Globularity: 0.077212
• Sterimol/B1: 2.41952
• Sterimol/B2: 2.52338
• Sterimol/B3: 4.05047
• Sterimol/B4: 5.18657
• Sterimol/L: 12.6812

Surface and Volume Properties

• Accessible surface: 402.454
• Positive charged surface: 289.325
• Negative charged surface: 113.129
• Volume: 159.875
• Hydrophobic surface: 250.57
• Hydrophilic surface: 151.884

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 6
• 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