PUBCHEM-ZINC02040715

MMsINC code: MMs02862811

• Type: Ionized
• Formula: C₆H₁₀FO₂-
• SMILES: FCCCCCC(=O)[O-]
• InChI: InChI=1/C6H11FO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)/p-1

Potential Energy
Epot(MMFF94)=2.91174 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 133.142 g/mol
• logS: -0.65775
• SlogP: 0.2662
• Reactive groups: 1

Topological Properties

• Globularity: 0.0706349
• Sterimol/B1: 2.24647
• Sterimol/B2: 2.37484
• Sterimol/B3: 2.37636
• Sterimol/B4: 3.67551
• Sterimol/L: 11.7474

Surface and Volume Properties

• Accessible surface: 318.684
• Positive charged surface: 196.972
• Negative charged surface: 121.713
• Volume: 127.375
• Hydrophobic surface: 184.606
• Hydrophilic surface: 134.078

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