PUBCHEM-ZINC05410051

MMsINC code: MMs03260228

• Type: Ionized
• Formula: C₃H₄FO₅P-2
• SMILES: P(OCC(=O)CF)(=O)([O-])[O-]
• InChI: InChI=1/C3H6FO5P/c4-1-3(5)2-9-10(6,7)8/h1-2H2,(H2,6,7,8)/p-2

Potential Energy
Epot(MMFF94)=-2.01951 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 170.032 g/mol
• logS: 0.02634
• SlogP: -2.6999
• Reactive groups: 1

Topological Properties

• Globularity: 0.0919801
• Sterimol/B1: 2.57619
• Sterimol/B2: 3.08854
• Sterimol/B3: 3.08883
• Sterimol/B4: 3.72116
• Sterimol/L: 10.6156

Surface and Volume Properties

• Accessible surface: 299.061
• Positive charged surface: 104.019
• Negative charged surface: 195.043
• Volume: 111.625
• Hydrophobic surface: 63.3182
• Hydrophilic surface: 235.7428

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 3
• 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