PUBCHEM-ZINC05113372

MMsINC code: MMs03201642

• Type: Ionized
• Formula: C₃H₆FO₃S-
• SMILES: S(=O)(=O)([O-])CCCF
• InChI: InChI=1/C3H7FO3S/c4-2-1-3-8(5,6)7/h1-3H2,(H,5,6,7)/p-1

Potential Energy
Epot(MMFF94)=4.26006 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 141.142 g/mol
• logS: -0.20807
• SlogP: -0.1088
• Reactive groups: 1

Topological Properties

• Globularity: 0.168841
• Sterimol/B1: 2.27727
• Sterimol/B2: 3.04394
• Sterimol/B3: 3.0442
• Sterimol/B4: 3.29601
• Sterimol/L: 9.23541

Surface and Volume Properties

• Accessible surface: 274.724
• Positive charged surface: 120.19
• Negative charged surface: 154.534
• Volume: 101.375
• Hydrophobic surface: 122.129
• Hydrophilic surface: 152.595

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 3
• 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