APOLLO-ZINC01678038

MMsINC code: MMs00049750

• Type: Ionized
• Formula: C₃H₁₀NO₂S₂+
• SMILES: S(SCC[NH3+])(=O)(=O)C
• InChI: InChI=1/C3H9NO2S2/c1-8(5,6)7-3-2-4/h2-4H2,1H3/p+1

Potential Energy
Epot(MMFF94)=1.45341 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.25 g/mol
• logS: -0.47248
• SlogP: -1.0789
• Reactive groups: 0

Topological Properties

• Globularity: 0.0849642
• Sterimol/B1: 3.01216
• Sterimol/B2: 3.31774
• Sterimol/B3: 3.38006
• Sterimol/B4: 3.40522
• Sterimol/L: 10.4486

Surface and Volume Properties

• Accessible surface: 327.072
• Positive charged surface: 206.055
• Negative charged surface: 121.017
• Volume: 130.25
• Hydrophobic surface: 149.113
• Hydrophilic surface: 177.959

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 0
• Basic groups: 1
• 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