PUBCHEM-ZINC05839003

MMsINC code: MMs03409633

• Type: Ionized
• Formula: C₅H₇FNO₂-
• SMILES: FC1CC(N)(C1)C(=O)[O-]
• InChI: InChI=1/C5H8FNO2/c6-3-1-5(7,2-3)4(8)9/h3H,1-2,7H2,(H,8,9)/p-1/t3-,5+

Potential Energy
Epot(MMFF94)=33.908 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 132.114 g/mol
• logS: -0.41426
• SlogP: -1.0144
• Reactive groups: 0

Topological Properties

• Globularity: 0.443039
• Sterimol/B1: 2.43321
• Sterimol/B2: 2.89977
• Sterimol/B3: 4.38292
• Sterimol/B4: 4.44998
• Sterimol/L: 8.60282

Surface and Volume Properties

• Accessible surface: 280.638
• Positive charged surface: 66.0728
• Negative charged surface: 108.568
• Volume: 111
• Hydrophobic surface: 105.997
• Hydrophilic surface: 174.641

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 1
• 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