PUBCHEM-ZINC05828179

MMsINC code: MMs03403732

• Type: Ionized
• Formula: C₂H₂F₂O₅P-
• SMILES: P(O)(O)(=O)C(F)(F)C(=O)[O-]
• InChI: InChI=1/C2H3F2O5P/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H2,7,8,9)/p-1

Potential Energy
Epot(MMFF94)=-16.8646 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 175.003 g/mol
• logS: 0.06339
• SlogP: -2.1435
• Reactive groups: 0

Topological Properties

• Globularity: 0.297354
• Sterimol/B1: 2.70949
• Sterimol/B2: 2.9717
• Sterimol/B3: 3.20345
• Sterimol/B4: 3.60173
• Sterimol/L: 8.3567

Surface and Volume Properties

• Accessible surface: 268.185
• Positive charged surface: 63.1317
• Negative charged surface: 205.054
• Volume: 96.125
• Hydrophobic surface: 0
• Hydrophilic surface: 268.185

Pharmacophoric Properties

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