PUBCHEM-ZINC05411309

MMsINC code: MMs03260419

• Type: Neutral
• Formula: C₃H₈FO₅P
• SMILES: P(OCC(O)CF)(O)(O)=O
• InChI: InChI=1/C3H8FO5P/c4-1-3(5)2-9-10(6,7)8/h3,5H,1-2H2,(H2,6,7,8)/t3-/m1/s1

Potential Energy
Epot(MMFF94)=-52.2994 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 174.064 g/mol
• logS: 0.70327
• SlogP: -1.6441
• Reactive groups: 1

Topological Properties

• Globularity: 0.113705
• Sterimol/B1: 2.65778
• Sterimol/B2: 3.19027
• Sterimol/B3: 3.21538
• Sterimol/B4: 3.56833
• Sterimol/L: 11.077

Surface and Volume Properties

• Accessible surface: 331.349
• Positive charged surface: 186.26
• Negative charged surface: 145.089
• Volume: 124.375
• Hydrophobic surface: 96.704
• Hydrophilic surface: 234.645

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 5
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1