ACROSORGANICS-ZINC01690278

MMsINC code: MMs00011053

• Type: Ionized
• Formula: C₄H₂F₇O-
• SMILES: FC(F)(C(F)(F)C(F)(F)F)C[O-]
• InChI: InChI=1/C4H2F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2/q-1

Potential Energy
Epot(MMFF94)=47.315 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 199.045 g/mol
• logS: -1.94919
• SlogP: 3.5095
• Reactive groups: 0

Topological Properties

• Globularity: 0.213868
• Sterimol/B1: 2.74103
• Sterimol/B2: 3.02113
• Sterimol/B3: 3.04653
• Sterimol/B4: 3.09238
• Sterimol/L: 8.85663

Surface and Volume Properties

• Accessible surface: 279.136
• Positive charged surface: 40.9536
• Negative charged surface: 238.183
• Volume: 107.375
• Hydrophobic surface: 37.1579
• Hydrophilic surface: 241.9781

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 1
• 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