PUBCHEM-ZINC05112640

MMsINC code: MMs03201067

• Type: Ionized
• Formula: C₄F₇O₂-
• SMILES: FC(C(=O)[O-])(C(F)(F)F)C(F)(F)F
• InChI: InChI=1/C4HF7O2/c5-2(1(12)13,3(6,7)8)4(9,10)11/h(H,12,13)/p-1

Potential Energy
Epot(MMFF94)=-18.3777 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 213.028 g/mol
• logS: -2.3365
• SlogP: 1.8289
• Reactive groups: 1

Topological Properties

• Globularity: 0.43261
• Sterimol/B1: 2.31612
• Sterimol/B2: 2.93764
• Sterimol/B3: 3.37497
• Sterimol/B4: 5.07827
• Sterimol/L: 7.34986

Surface and Volume Properties

• Accessible surface: 276.355
• Positive charged surface: 19.0387
• Negative charged surface: 257.316
• Volume: 106
• Hydrophobic surface: 0
• Hydrophilic surface: 276.355

Pharmacophoric Properties

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