ALFAAESAR-ZINC01585303

MMsINC code: MMs00021386

• Type: Neutral
• Formula: C₅H₁₀FNO₂
• SMILES: FC(C(N)C(O)=O)(C)C
• InChI: InChI=1/C5H10FNO2/c1-5(2,6)3(7)4(8)9/h3H,7H2,1-2H3,(H,8,9)/t3-/m0/s1

Potential Energy
Epot(MMFF94)=34.0874 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 135.138 g/mol
• logS: -0.25585
• SlogP: 0.5663
• Reactive groups: 1

Topological Properties

• Globularity: 0.39937
• Sterimol/B1: 2.24419
• Sterimol/B2: 2.24967
• Sterimol/B3: 4.12027
• Sterimol/B4: 4.80298
• Sterimol/L: 8.86184

Surface and Volume Properties

• Accessible surface: 297.638
• Positive charged surface: 182.046
• Negative charged surface: 115.592
• Volume: 123
• Hydrophobic surface: 103.498
• Hydrophilic surface: 194.14

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1