ACROSORGANICS-ZINC03812991

MMsINC code: MMs00015123

• Type: Neutral
• Formula: C₂H₆O₆S₂
• SMILES: S(O)(=O)(=O)CCS(O)(=O)=O
• InChI: InChI=1/C2H6O6S2/c3-9(4,5)1-2-10(6,7)8/h1-2H2,(H,3,4,5)(H,6,7,8)

Potential Energy
Epot(MMFF94)=-25.9943 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 190.196 g/mol
• logS: 0.36836
• SlogP: -2.3694
• Reactive groups: 0

Topological Properties

• Globularity: 0.105905
• Sterimol/B1: 2.32617
• Sterimol/B2: 3.04661
• Sterimol/B3: 3.04753
• Sterimol/B4: 3.34888
• Sterimol/L: 10.8436

Surface and Volume Properties

• Accessible surface: 316.496
• Positive charged surface: 125.079
• Negative charged surface: 191.417
• Volume: 121.875
• Hydrophobic surface: 68.1601
• Hydrophilic surface: 248.3359

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