ACROSORGANICS-ZINC00164626

MMsINC code: MMs00006230

• Type: Ionized
• Formula: C₇H₂F₃O₂-
• SMILES: Fc1cc(F)c(F)cc1C(=O)[O-]
• InChI: InChI=1/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)/p-1

Potential Energy
Epot(MMFF94)=18.6127 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 175.085 g/mol
• logS: -2.49967
• SlogP: 0.4674
• Reactive groups: 0

Topological Properties

• Globularity: 0.00604564
• Sterimol/B1: 2.16108
• Sterimol/B2: 2.19866
• Sterimol/B3: 2.57845
• Sterimol/B4: 5.06813
• Sterimol/L: 9.60356

Surface and Volume Properties

• Accessible surface: 296.107
• Positive charged surface: 95.2919
• Negative charged surface: 200.815
• Volume: 124.5
• Hydrophobic surface: 210.261
• Hydrophilic surface: 85.846

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