NCID-ZINC01596065

MMsINC code: MMs02250203

• Type: Neutral
• Formula: C₄H₁₀O₃S₂
• SMILES: S(C(CS(O)(=O)=O)C)C
• InChI: InChI=1/C4H10O3S2/c1-4(8-2)3-9(5,6)7/h4H,3H2,1-2H3,(H,5,6,7)/t4-/m0/s1

Potential Energy
Epot(MMFF94)=5.82687 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 170.253 g/mol
• logS: -0.93018
• SlogP: 0.06
• Reactive groups: 0

Topological Properties

• Globularity: 0.110601
• Sterimol/B1: 2.32987
• Sterimol/B2: 2.92972
• Sterimol/B3: 3.35778
• Sterimol/B4: 5.30632
• Sterimol/L: 10.2279

Surface and Volume Properties

• Accessible surface: 330.344
• Positive charged surface: 173.203
• Negative charged surface: 157.141
• Volume: 137.75
• Hydrophobic surface: 168.251
• Hydrophilic surface: 162.093

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

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