PUBCHEM-ZINC05410051

MMsINC code: MMs03260227

• Type: Neutral
• Formula: C₃H₆FO₅P
• SMILES: P(OCC(=O)CF)(O)(O)=O
• InChI: InChI=1/C3H6FO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)

Potential Energy
Epot(MMFF94)=-57.4679 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 172.048 g/mol
• logS: 0.16938
• SlogP: -1.4359
• Reactive groups: 1

Topological Properties

• Globularity: 0.0956405
• Sterimol/B1: 2.95361
• Sterimol/B2: 3.0083
• Sterimol/B3: 3.2667
• Sterimol/B4: 3.39234
• Sterimol/L: 11.0026

Surface and Volume Properties

• Accessible surface: 323.071
• Positive charged surface: 168.279
• Negative charged surface: 154.792
• Volume: 119.5
• Hydrophobic surface: 73.3379
• Hydrophilic surface: 249.7331

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• 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