ACROSORGANICS-ZINC01666662

MMsINC code: MMs00010424

• Type: Ionized
• Formula: C₄F₄O₄-2
• SMILES: FC(F)(C(F)(F)C(=O)[O-])C(=O)[O-]
• InChI: InChI=1/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12)/p-2

Potential Energy
Epot(MMFF94)=80.9651 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 188.032 g/mol
• logS: -1.5098
• SlogP: -1.4034
• Reactive groups: 1

Topological Properties

• Globularity: 0.217769
• Sterimol/B1: 2.62597
• Sterimol/B2: 2.94624
• Sterimol/B3: 2.94628
• Sterimol/B4: 3.30863
• Sterimol/L: 8.94819

Surface and Volume Properties

• Accessible surface: 274.565
• Positive charged surface: 36.0816
• Negative charged surface: 238.483
• Volume: 104.625
• Hydrophobic surface: 0
• Hydrophilic surface: 274.565

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