ALFAAESAR-ZINC04255934

MMsINC code: MMs00024627

• Type: Ionized
• Formula: C₈H₆FO₃-
• SMILES: Fc1ccc(cc1OC)C(=O)[O-]
• InChI: InChI=1/C8H7FO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=37.0802 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 169.131 g/mol
• logS: -1.96009
• SlogP: 0.1978
• Reactive groups: 0

Topological Properties

• Globularity: 0.0196159
• Sterimol/B1: 2.38896
• Sterimol/B2: 2.38924
• Sterimol/B3: 4.32971
• Sterimol/B4: 4.9475
• Sterimol/L: 10.6179

Surface and Volume Properties

• Accessible surface: 335.124
• Positive charged surface: 173.107
• Negative charged surface: 162.018
• Volume: 145.5
• Hydrophobic surface: 236.739
• Hydrophilic surface: 98.385

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• 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