ACROSORGANICS-ZINC01706166

MMsINC code: MMs00011469

• Type: Ionized
• Formula: C₇H₃FNO₄-
• SMILES: Fc1ccc(cc1[N+](=O)[O-])C(=O)[O-]
• InChI: InChI=1/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=33.8254 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: 0.0193027
• Sterimol/B1: 2.55772
• Sterimol/B2: 2.62461
• Sterimol/B3: 3.22907
• Sterimol/B4: 5.18916
• Sterimol/L: 10.5326

Surface and Volume Properties

• Accessible surface: 321.146
• Positive charged surface: 93.8226
• Negative charged surface: 227.324
• Volume: 136.5
• Hydrophobic surface: 150.434
• Hydrophilic surface: 170.712

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