PUBCHEM-ZINC06524178

MMsINC code: MMs03782264

• Type: Neutral
• Formula: C₇H₆FNO₃
• SMILES: Fc1cc(C(O)=O)c(O)cc1N
• InChI: InChI=1/C7H6FNO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,9H2,(H,11,12)

Potential Energy
Epot(MMFF94)=43.2988 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 171.127 g/mol
• logS: -1.00819
• SlogP: 0.8117
• Reactive groups: 0

Topological Properties

• Globularity: 0.00617145
• Sterimol/B1: 2.11322
• Sterimol/B2: 2.24475
• Sterimol/B3: 2.67882
• Sterimol/B4: 5.38123
• Sterimol/L: 10.5335

Surface and Volume Properties

• Accessible surface: 319.705
• Positive charged surface: 188.27
• Negative charged surface: 131.436
• Volume: 138
• Hydrophobic surface: 129.03
• Hydrophilic surface: 190.675

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 3
• Acid groups: 0
• 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