ACROSORGANICS-ZINC00404416

MMsINC code: MMs00007741

• Type: Ionized
• Formula: C₈H₆FO₂-
• SMILES: Fc1cc(ccc1C)C(=O)[O-]
• InChI: InChI=1/C8H7FO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=24.9747 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 153.132 g/mol
• logS: -2.07018
• SlogP: 0.49762
• Reactive groups: 0

Topological Properties

• Globularity: 0.0185344
• Sterimol/B1: 2.1393
• Sterimol/B2: 2.50521
• Sterimol/B3: 3.63656
• Sterimol/B4: 3.86677
• Sterimol/L: 10.2099

Surface and Volume Properties

• Accessible surface: 322.053
• Positive charged surface: 142.66
• Negative charged surface: 179.393
• Volume: 136.625
• Hydrophobic surface: 229.361
• Hydrophilic surface: 92.692

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