CHEMSTAR-ZINC03162962

MMsINC code: MMs01085098

• Type: Ionized
• Formula: C₆H₈F₆O₂P-
• SMILES: P(=O)([O-])(CCC(F)(F)F)CCC(F)(F)F
• InChI: InChI=1/C6H9F6O2P/c7-5(8,9)1-3-15(13,14)4-2-6(10,11)12/h1-4H2,(H,13,14)/p-1

Potential Energy
Epot(MMFF94)=-3.49843 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 257.09 g/mol
• logS: -1.65268
• SlogP: 2.2992
• Reactive groups: 0

Topological Properties

• Globularity: 0.0724965
• Sterimol/B1: 2.96191
• Sterimol/B2: 3.13242
• Sterimol/B3: 3.13484
• Sterimol/B4: 3.24508
• Sterimol/L: 13.1319

Surface and Volume Properties

• Accessible surface: 391.78
• Positive charged surface: 117.537
• Negative charged surface: 274.243
• Volume: 166
• Hydrophobic surface: 119.208
• Hydrophilic surface: 272.572

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• 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