ACROSORGANICS-ZINC00165667

MMsINC code: MMs00006365

• Type: Neutral
• Formula: C₇H₆FNO₂
• SMILES: Fc1cc(C(O)=O)c(N)cc1
• InChI: InChI=1/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

Potential Energy
Epot(MMFF94)=31.7216 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 155.128 g/mol
• logS: -1.37014
• SlogP: 1.1061
• Reactive groups: 0

Topological Properties

• Globularity: 0.000730232
• Sterimol/B1: 2.10241
• Sterimol/B2: 2.11832
• Sterimol/B3: 3.8653
• Sterimol/B4: 4.51924
• Sterimol/L: 9.73965

Surface and Volume Properties

• Accessible surface: 307.743
• Positive charged surface: 170.566
• Negative charged surface: 137.177
• Volume: 129.625
• Hydrophobic surface: 170.995
• Hydrophilic surface: 136.748

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 2
• 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