MAYBRIDGE-ZINC00153358

MMsINC code: MMs02142381

• Type: Ionized
• Formula: C₇H₃FNO₄-
• SMILES: Fc1cc([N+](=O)[O-])ccc1C(=O)[O-]
• InChI: InChI=1/C7H4FNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=35.1004 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: 0.00413403
• Sterimol/B1: 2.17576
• Sterimol/B2: 2.20948
• Sterimol/B3: 2.43795
• Sterimol/B4: 5.09313
• Sterimol/L: 10.6015

Surface and Volume Properties

• Accessible surface: 318.56
• Positive charged surface: 95.084
• Negative charged surface: 223.476
• Volume: 136
• Hydrophobic surface: 150.594
• Hydrophilic surface: 167.966

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