APOLLO-ZINC04243025

MMsINC code: MMs00057014

• Type: Neutral
• Formula: C₅H₆F₂O₂
• SMILES: FC(F)C(=O)CC(=O)C
• InChI: InChI=1/C5H6F2O2/c1-3(8)2-4(9)5(6)7/h5H,2H2,1H3

Potential Energy
Epot(MMFF94)=26.348 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 136.097 g/mol
• logS: -0.67063
• SlogP: 1.2196
• Reactive groups: 1

Topological Properties

• Globularity: 0.070067
• Sterimol/B1: 2.36484
• Sterimol/B2: 2.59539
• Sterimol/B3: 2.7458
• Sterimol/B4: 3.57792
• Sterimol/L: 9.84959

Surface and Volume Properties

• Accessible surface: 287.682
• Positive charged surface: 141.892
• Negative charged surface: 145.791
• Volume: 108.625
• Hydrophobic surface: 140.736
• Hydrophilic surface: 146.946

Pharmacophoric Properties

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