APOLLO-ZINC02386501

MMsINC code: MMs00052042

• Type: Ionized
• Formula: C₇H₃FNO₄-
• SMILES: Fc1cccc([N+](=O)[O-])c1C(=O)[O-]
• InChI: InChI=1/C7H4FNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=28.4243 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 184.102 g/mol
• logS: -2.69994
• SlogP: 0.0974
• Reactive groups: 0

Topological Properties

• Globularity: 0.0636234
• Sterimol/B1: 2.79968
• Sterimol/B2: 2.89263
• Sterimol/B3: 3.40614
• Sterimol/B4: 4.94196
• Sterimol/L: 8.7971

Surface and Volume Properties

• Accessible surface: 319.858
• Positive charged surface: 91.3939
• Negative charged surface: 228.464
• Volume: 135.5
• Hydrophobic surface: 164.813
• Hydrophilic surface: 155.045

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