ACROSORGANICS-ZINC03861101

MMsINC code: MMs00015741

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

Potential Energy
Epot(MMFF94)=19.4346 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 96.032 g/mol
• logS: -0.11449
• SlogP: 0.756
• Reactive groups: 0

Topological Properties

• Globularity: 0.128404
• Sterimol/B1: 2.46749
• Sterimol/B2: 2.46809
• Sterimol/B3: 2.47497
• Sterimol/B4: 3.34244
• Sterimol/L: 6.96143

Surface and Volume Properties

• Accessible surface: 209.833
• Positive charged surface: 82.81
• Negative charged surface: 127.023
• Volume: 63.5
• Hydrophobic surface: 21.645
• Hydrophilic surface: 188.188

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