PUBCHEM-ZINC04556057

MMsINC code: MMs03133507

• Type: Neutral
• Formula: C₂H₂F₂O₃
• SMILES: FC(F)(O)C(O)=O
• InChI: InChI=1/C2H2F2O3/c3-2(4,7)1(5)6/h7H,(H,5,6)

Potential Energy
Epot(MMFF94)=29.3367 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 112.031 g/mol
• logS: -0.14314
• SlogP: 0.076
• Reactive groups: 0

Topological Properties

• Globularity: 0.115667
• Sterimol/B1: 2.63699
• Sterimol/B2: 2.63914
• Sterimol/B3: 2.87952
• Sterimol/B4: 2.94539
• Sterimol/L: 7.82571

Surface and Volume Properties

• Accessible surface: 226.807
• Positive charged surface: 82.5674
• Negative charged surface: 144.239
• Volume: 68.25
• Hydrophobic surface: 0
• Hydrophilic surface: 226.807

Pharmacophoric Properties

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