PUBCHEM-ZINC05113372

MMsINC code: MMs03201641

• Type: Neutral
• Formula: C₃H₇FO₃S
• SMILES: S(O)(=O)(=O)CCCF
• InChI: InChI=1/C3H7FO3S/c4-2-1-3-8(5,6)7/h1-3H2,(H,5,6,7)

Potential Energy
Epot(MMFF94)=-7.12853 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 142.15 g/mol
• logS: -0.13655
• SlogP: -0.3319
• Reactive groups: 1

Topological Properties

• Globularity: 0.124009
• Sterimol/B1: 2.31296
• Sterimol/B2: 3.04625
• Sterimol/B3: 3.0479
• Sterimol/B4: 3.13849
• Sterimol/L: 9.86565

Surface and Volume Properties

• Accessible surface: 285.329
• Positive charged surface: 147.591
• Negative charged surface: 137.738
• Volume: 105.625
• Hydrophobic surface: 124.037
• Hydrophilic surface: 161.292

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• 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