NCID-ZINC01667912

MMsINC code: MMs02304043

• Type: Neutral
• Formula: C₅H₁₀O₇S₂
• SMILES: S(O)(=O)(=O)C1CCCC1OS(O)(=O)=O
• InChI: InChI=1/C5H10O7S2/c6-13(7,8)5-3-1-2-4(5)12-14(9,10)11/h4-5H,1-3H2,(H,6,7,8)(H,9,10,11)/t4-,5+/m1/s1

Potential Energy
Epot(MMFF94)=-5.09713 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 246.26 g/mol
• logS: -0.64035
• SlogP: -1.5167
• Reactive groups: 0

Topological Properties

• Globularity: 0.162901
• Sterimol/B1: 2.20059
• Sterimol/B2: 3.31222
• Sterimol/B3: 3.3753
• Sterimol/B4: 6.80798
• Sterimol/L: 10.3033

Surface and Volume Properties

• Accessible surface: 369.524
• Positive charged surface: 191.358
• Negative charged surface: 178.166
• Volume: 165.75
• Hydrophobic surface: 147.139
• Hydrophilic surface: 222.385

Pharmacophoric Properties

• Hydrogen bond donors: 6
• Hydrogen bond acceptors: 7
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1