ACROSORGANICS-ZINC00157326

MMsINC code: MMs00005639

• Type: Ionized
• Formula: C₇H₄FO₂-
• SMILES: Fc1cc(ccc1)C(=O)[O-]
• InChI: InChI=1/C7H5FO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=22.1856 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 139.105 g/mol
• logS: -1.90971
• SlogP: 0.1892
• Reactive groups: 0

Topological Properties

• Globularity: 4.17029e-09
• Sterimol/B1: 2.09702
• Sterimol/B2: 2.0972
• Sterimol/B3: 2.44449
• Sterimol/B4: 5.03626
• Sterimol/L: 9.31946

Surface and Volume Properties

• Accessible surface: 286.999
• Positive charged surface: 107.559
• Negative charged surface: 179.44
• Volume: 118.125
• Hydrophobic surface: 198.33
• Hydrophilic surface: 88.669

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