PUBCHEM-ZINC05112559

MMsINC code: MMs03200993

• Type: Ionized
• Formula: C₃H₃FO₆P-
• SMILES: P(O\C(=C/F)\C(=O)[O-])(O)(O)=O
• InChI: InChI=1/C3H4FO6P/c4-1-2(3(5)6)10-11(7,8)9/h1H,(H,5,6)(H2,7,8,9)/p-1/b2-1-

Potential Energy
Epot(MMFF94)=-87.5133 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 185.023 g/mol
• logS: 0.0281
• SlogP: -2.3048
• Reactive groups: 0

Topological Properties

• Globularity: 0.110612
• Sterimol/B1: 2.3639
• Sterimol/B2: 2.84192
• Sterimol/B3: 3.76825
• Sterimol/B4: 4.67642
• Sterimol/L: 9.10941

Surface and Volume Properties

• Accessible surface: 296.861
• Positive charged surface: 80.7921
• Negative charged surface: 216.069
• Volume: 113.625
• Hydrophobic surface: 89.676
• Hydrophilic surface: 207.185

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• Acid groups: 2
• 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