ACROSORGANICS-ZINC03861259

MMsINC code: MMs00015797

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

Potential Energy
Epot(MMFF94)=43.3636 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: 0.184187
• Sterimol/B1: 2.5906
• Sterimol/B2: 2.59083
• Sterimol/B3: 2.89854
• Sterimol/B4: 3.0714
• Sterimol/L: 9.15362

Surface and Volume Properties

• Accessible surface: 283.157
• Positive charged surface: 25.7098
• Negative charged surface: 257.447
• Volume: 108.25
• Hydrophobic surface: 0
• Hydrophilic surface: 283.157

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