PUBCHEM-ZINC05828179

MMsINC code: MMs03403731

• Type: Neutral
• Formula: C₂H₃F₂O₅P
• 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)

Potential Energy
Epot(MMFF94)=6.37536 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 176.011 g/mol
• logS: 0.32384
• SlogP: -0.8088
• Reactive groups: 0

Topological Properties

• Globularity: 0.240722
• Sterimol/B1: 2.87293
• Sterimol/B2: 2.9215
• Sterimol/B3: 3.24402
• Sterimol/B4: 3.54654
• Sterimol/L: 8.60939

Surface and Volume Properties

• Accessible surface: 283.367
• Positive charged surface: 98.2358
• Negative charged surface: 185.131
• Volume: 104.125
• Hydrophobic surface: 0
• Hydrophilic surface: 283.367

Pharmacophoric Properties

• Hydrogen bond donors: 5
• 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