APOLLO-ZINC04293905

MMsINC code: MMs00058970

• Type: Neutral
• Formula: C₄H₈O₄S₂
• SMILES: S(SC)(=O)(=O)CCC(O)=O
• InChI: InChI=1/C4H8O4S2/c1-9-10(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)

Potential Energy
Epot(MMFF94)=-11.9811 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 184.236 g/mol
• logS: -0.68327
• SlogP: 0.1539
• Reactive groups: 0

Topological Properties

• Globularity: 0.0848872
• Sterimol/B1: 2.45424
• Sterimol/B2: 2.98837
• Sterimol/B3: 3.30183
• Sterimol/B4: 5.10205
• Sterimol/L: 11.444

Surface and Volume Properties

• Accessible surface: 339.803
• Positive charged surface: 155.431
• Negative charged surface: 184.372
• Volume: 141
• Hydrophobic surface: 134.68
• Hydrophilic surface: 205.123

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• 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