ACROSORGANICS-ZINC03860798

MMsINC code: MMs00015560

• Type: Neutral
• Formula: C₂HF₃O₂
• SMILES: FC(F)(F)C(O)=O
• InChI: InChI=1/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)

Potential Energy
Epot(MMFF94)=33.93 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 114.022 g/mol
• logS: -0.66937
• SlogP: 1.0532
• Reactive groups: 0

Topological Properties

• Globularity: 0.166751
• Sterimol/B1: 2.63699
• Sterimol/B2: 2.63913
• Sterimol/B3: 2.71817
• Sterimol/B4: 2.91603
• Sterimol/L: 6.9342

Surface and Volume Properties

• Accessible surface: 217.113
• Positive charged surface: 53.3457
• Negative charged surface: 163.767
• Volume: 65.5
• Hydrophobic surface: 0
• Hydrophilic surface: 217.113

Pharmacophoric Properties

• Hydrogen bond donors: 2
• 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