PUBCHEM-ZINC06523839

MMsINC code: MMs03781906

• Type: Neutral
• Formula: C₂H₄FO₅P
• SMILES: P(O)(O)(=O)C(F)C(O)=O
• InChI: InChI=1/C2H4FO5P/c3-1(2(4)5)9(6,7)8/h1H,(H,4,5)(H2,6,7,8)/t1-/m1/s1

Potential Energy
Epot(MMFF94)=-21.2787 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 158.021 g/mol
• logS: 0.87872
• SlogP: -1.106
• Reactive groups: 0

Topological Properties

• Globularity: 0.195335
• Sterimol/B1: 2.49875
• Sterimol/B2: 2.89226
• Sterimol/B3: 4.0211
• Sterimol/B4: 4.04979
• Sterimol/L: 9.2211

Surface and Volume Properties

• Accessible surface: 282.959
• Positive charged surface: 126.135
• Negative charged surface: 156.824
• Volume: 99.625
• Hydrophobic surface: 16.8658
• Hydrophilic surface: 266.0932

Pharmacophoric Properties

• Hydrogen bond donors: 5
• 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