ACROSORGANICS-ZINC04284464

MMsINC code: MMs00018124

• 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+

Potential Energy
Epot(MMFF94)=42.9466 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: 0.0781273
• Sterimol/B1: 3.05242
• Sterimol/B2: 3.35811
• Sterimol/B3: 3.67063
• Sterimol/B4: 3.8682
• Sterimol/L: 13.3645

Surface and Volume Properties

• Accessible surface: 392.811
• Positive charged surface: 182.673
• Negative charged surface: 210.139
• Volume: 168.125
• Hydrophobic surface: 75.7382
• Hydrophilic surface: 317.0728

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