ACROSORGANICS-ZINC00156270

MMsINC code: MMs00005389

• Type: Ionized
• Formula: C₇H₂F₃O₂-
• SMILES: Fc1c(F)c(F)ccc1C(=O)[O-]
• InChI: InChI=1/C7H3F3O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)/p-1

Potential Energy
Epot(MMFF94)=22.447 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: 0.00684998
• Sterimol/B1: 2.18348
• Sterimol/B2: 2.22475
• Sterimol/B3: 2.4708
• Sterimol/B4: 5.10524
• Sterimol/L: 9.54574

Surface and Volume Properties

• Accessible surface: 296.03
• Positive charged surface: 96.8445
• Negative charged surface: 199.185
• Volume: 124
• Hydrophobic surface: 209.533
• Hydrophilic surface: 86.497

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