MICROSOURCE-ZINC04658594

MMsINC code: MMs02189733

• Type: Ionized
• Formula: C₂H₂FO₂-
• SMILES: FCC(=O)[O-]
• InChI: InChI=1/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1

Potential Energy
Epot(MMFF94)=18.6355 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 77.034 g/mol
• logS: -0.17052
• SlogP: -1.2942
• Reactive groups: 1

Topological Properties

• Globularity: 0.247264
• Sterimol/B1: 2.00605
• Sterimol/B2: 2.76333
• Sterimol/B3: 2.95246
• Sterimol/B4: 2.95415
• Sterimol/L: 5.87966

Surface and Volume Properties

• Accessible surface: 196.795
• Positive charged surface: 84.0285
• Negative charged surface: 112.766
• Volume: 57
• Hydrophobic surface: 60.717
• Hydrophilic surface: 136.078

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