ACROSORGANICS-ZINC03860857

MMsINC code: MMs00015605

• Type: Ionized
• Formula: C₃HF₆O-
• SMILES: FC(F)(F)C([O-])C(F)(F)F
• InChI: InChI=1/C3HF6O/c4-2(5,6)1(10)3(7,8)9/h1H/q-1

Potential Energy
Epot(MMFF94)=41.6517 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 167.028 g/mol
• logS: -1.6255
• SlogP: 2.7499
• Reactive groups: 0

Topological Properties

• Globularity: 0.325896
• Sterimol/B1: 2.54871
• Sterimol/B2: 3.05585
• Sterimol/B3: 3.13699
• Sterimol/B4: 3.38014
• Sterimol/L: 7.77319

Surface and Volume Properties

• Accessible surface: 247.294
• Positive charged surface: 24.8637
• Negative charged surface: 222.43
• Volume: 85.625
• Hydrophobic surface: 22.8135
• Hydrophilic surface: 224.4805

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