NCID-ZINC05046419

MMsINC code: MMs02431897

• 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-/m0/s1

Potential Energy
Epot(MMFF94)=-52.1985 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: 0.0994043
• Sterimol/B1: 3.04815
• Sterimol/B2: 3.07758
• Sterimol/B3: 3.31948
• Sterimol/B4: 3.52141
• Sterimol/L: 11.0182

Surface and Volume Properties

• Accessible surface: 330.894
• Positive charged surface: 185.208
• Negative charged surface: 145.686
• Volume: 124.875
• Hydrophobic surface: 94.3071
• Hydrophilic surface: 236.5869

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