PUBCHEM-ZINC05113688

MMsINC code: MMs03201859

• Type: Ionized
• Formula: C₃H₄F₃O₄P-2
• SMILES: P(OCCC(F)(F)F)(=O)([O-])[O-]
• InChI: InChI=1/C3H6F3O4P/c4-3(5,6)1-2-10-11(7,8)9/h1-2H2,(H2,7,8,9)/p-2

Potential Energy
Epot(MMFF94)=-10.7061 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 192.029 g/mol
• logS: -0.60338
• SlogP: -0.8662
• Reactive groups: 0

Topological Properties

• Globularity: 0.123899
• Sterimol/B1: 2.33493
• Sterimol/B2: 3.03179
• Sterimol/B3: 3.14654
• Sterimol/B4: 3.358
• Sterimol/L: 10.4647

Surface and Volume Properties

• Accessible surface: 307.199
• Positive charged surface: 80.2034
• Negative charged surface: 226.996
• Volume: 115.75
• Hydrophobic surface: 69.8277
• Hydrophilic surface: 237.3713

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• 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