ALFAAESAR-ZINC01845748

MMsINC code: MMs00022215

• Type: Ionized
• Formula: C₃HF₄O₂-
• SMILES: FC(F)(C(=O)[O-])C(F)F
• InChI: InChI=1/C3H2F4O2/c4-1(5)3(6,7)2(8)9/h1H,(H,8,9)/p-1

Potential Energy
Epot(MMFF94)=35.0661 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 145.031 g/mol
• logS: -1.07828
• SlogP: 0.4765
• Reactive groups: 1

Topological Properties

• Globularity: 0.280757
• Sterimol/B1: 2.75879
• Sterimol/B2: 2.92578
• Sterimol/B3: 3.06473
• Sterimol/B4: 3.34565
• Sterimol/L: 7.92227

Surface and Volume Properties

• Accessible surface: 243.504
• Positive charged surface: 44.5418
• Negative charged surface: 198.962
• Volume: 82.5
• Hydrophobic surface: 16.6156
• Hydrophilic surface: 226.8884

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