PUBCHEM-ZINC05112819

MMsINC code: MMs03201236

• Type: Neutral
• Formula: C₂H₄F₃O₄P
• SMILES: P(OCC(F)(F)F)(O)(O)=O
• InChI: InChI=1/C2H4F3O4P/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)

Potential Energy
Epot(MMFF94)=-53.8816 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 180.018 g/mol
• logS: -0.25857
• SlogP: 0.0077
• Reactive groups: 0

Topological Properties

• Globularity: 0.14829
• Sterimol/B1: 2.89644
• Sterimol/B2: 3.01852
• Sterimol/B3: 3.15174
• Sterimol/B4: 3.49917
• Sterimol/L: 9.74916

Surface and Volume Properties

• Accessible surface: 303.161
• Positive charged surface: 106.693
• Negative charged surface: 196.468
• Volume: 107.875
• Hydrophobic surface: 36.6502
• Hydrophilic surface: 266.5108

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• 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