NCID-ZINC03922156

MMsINC code: MMs02381903

• Type: Neutral
• Formula: C₄H₁₀O₆S₄
• SMILES: S(O)(=O)(=O)CCSSCCS(O)(=O)=O
• InChI: InChI=1/C4H10O6S4/c5-13(6,7)3-1-11-12-2-4-14(8,9)10/h1-4H2,(H,5,6,7)(H,8,9,10)

Potential Energy
Epot(MMFF94)=-26.3548 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 282.382 g/mol
• logS: -1.72732
• SlogP: -0.988
• Reactive groups: 1

Topological Properties

• Globularity: 0.0728709
• Sterimol/B1: 2.50087
• Sterimol/B2: 3.48863
• Sterimol/B3: 3.76626
• Sterimol/B4: 4.34411
• Sterimol/L: 14.5134

Surface and Volume Properties

• Accessible surface: 438.908
• Positive charged surface: 181.436
• Negative charged surface: 257.472
• Volume: 194
• Hydrophobic surface: 123.069
• Hydrophilic surface: 315.839

Pharmacophoric Properties

• Hydrogen bond donors: 6
• 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