ACROSORGANICS-ZINC04284466

MMsINC code: MMs00018126

• Type: Neutral
• Formula: C₄H₁₀O₈S₂
• SMILES: S(O)(=O)(=O)C(O)CCC(S(O)(=O)=O)O
• InChI: InChI=1/C4H10O8S2/c5-3(13(7,8)9)1-2-4(6)14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m1/s1

Potential Energy
Epot(MMFF94)=42.8467 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 250.248 g/mol
• logS: 0.60844
• SlogP: -2.9524
• Reactive groups: 0

Topological Properties

• Globularity: 0.0930353
• Sterimol/B1: 2.64613
• Sterimol/B2: 3.24713
• Sterimol/B3: 3.32168
• Sterimol/B4: 3.46687
• Sterimol/L: 13.3672

Surface and Volume Properties

• Accessible surface: 391.708
• Positive charged surface: 179.748
• Negative charged surface: 211.961
• Volume: 168
• Hydrophobic surface: 75.9994
• Hydrophilic surface: 315.7086

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 8
• 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