ACROSORGANICS-ZINC04261826

MMsINC code: MMs00016904

• Type: Neutral
• Formula: C₂H₆O₈S₂
• SMILES: S(O)(=O)(=O)C(O)C(S(O)(=O)=O)O
• InChI: InChI=1/C2H6O8S2/c3-1(11(5,6)7)2(4)12(8,9)10/h1-4H,(H,5,6,7)(H,8,9,10)/t1-,2-/m1/s1

Potential Energy
Epot(MMFF94)=30.9254 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 222.194 g/mol
• logS: 1.01198
• SlogP: -3.7326
• Reactive groups: 0

Topological Properties

• Globularity: 0.159074
• Sterimol/B1: 2.60055
• Sterimol/B2: 3.04755
• Sterimol/B3: 3.30578
• Sterimol/B4: 3.60496
• Sterimol/L: 10.8555

Surface and Volume Properties

• Accessible surface: 331.098
• Positive charged surface: 132.062
• Negative charged surface: 199.035
• Volume: 132
• Hydrophobic surface: 28.8256
• Hydrophilic surface: 302.2724

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