NCID-ZINC01628296

MMsINC code: MMs02274133

• Type: Neutral
• Formula: C₃H₈O₄S
• SMILES: S(O)(=O)(=O)C(CO)C
• InChI: InChI=1/C3H8O4S/c1-3(2-4)8(5,6)7/h3-4H,2H2,1H3,(H,5,6,7)/t3-/m0/s1

Potential Energy
Epot(MMFF94)=-6.19843 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 140.159 g/mol
• logS: 0.26424
• SlogP: -1.3107
• Reactive groups: 0

Topological Properties

• Globularity: 0.172594
• Sterimol/B1: 2.0582
• Sterimol/B2: 3.07579
• Sterimol/B3: 3.3154
• Sterimol/B4: 5.26389
• Sterimol/L: 9.35422

Surface and Volume Properties

• Accessible surface: 283.1
• Positive charged surface: 169.083
• Negative charged surface: 114.017
• Volume: 106.75
• Hydrophobic surface: 103.651
• Hydrophilic surface: 179.449

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1