ACROSORGANICS-ZINC03861101

MMsINC code: MMs00015742

• Type: Ionized
• Formula: C₂HF₂O₂-
• SMILES: FC(F)C(=O)[O-]
• InChI: InChI=1/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)/p-1

Potential Energy
Epot(MMFF94)=36.5606 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 95.024 g/mol
• logS: -0.37494
• SlogP: -0.5787
• Reactive groups: 0

Topological Properties

• Globularity: 0.267156
• Sterimol/B1: 2.58987
• Sterimol/B2: 2.59001
• Sterimol/B3: 2.78456
• Sterimol/B4: 3.11427
• Sterimol/L: 5.96736

Surface and Volume Properties

• Accessible surface: 205.642
• Positive charged surface: 56.5771
• Negative charged surface: 149.065
• Volume: 60.125
• Hydrophobic surface: 20.6015
• Hydrophilic surface: 185.0405

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