ACROSORGANICS-ZINC01847484

MMsINC code: MMs00012062

• Type: Ionized
• Formula: C₅F₆O₄-2
• SMILES: FC(F)(C(F)(F)C(=O)[O-])C(F)(F)C(=O)[O-]
• InChI: InChI=1/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)/p-2

Potential Energy
Epot(MMFF94)=82.6532 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 238.039 g/mol
• logS: -2.21314
• SlogP: -0.3482
• Reactive groups: 1

Topological Properties

• Globularity: 0.114699
• Sterimol/B1: 2.5947
• Sterimol/B2: 2.59529
• Sterimol/B3: 3.07446
• Sterimol/B4: 3.07461
• Sterimol/L: 10.8966

Surface and Volume Properties

• Accessible surface: 309.574
• Positive charged surface: 39.8902
• Negative charged surface: 269.684
• Volume: 125.75
• Hydrophobic surface: 0
• Hydrophilic surface: 309.574

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 4
• 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