ACROSORGANICS-ZINC00164451

MMsINC code: MMs00006155

• Type: Ionized
• Formula: C₇H₄FO₂-
• SMILES: Fc1ccccc1C(=O)[O-]
• InChI: InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=22.9174 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: 0.00460609
• Sterimol/B1: 2.10425
• Sterimol/B2: 2.15931
• Sterimol/B3: 2.4428
• Sterimol/B4: 5.07783
• Sterimol/L: 9.3389

Surface and Volume Properties

• Accessible surface: 288.508
• Positive charged surface: 115.862
• Negative charged surface: 172.646
• Volume: 119.25
• Hydrophobic surface: 200.247
• Hydrophilic surface: 88.261

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