PUBCHEM-ZINC01846650

MMsINC code: MMs02824240

• Type: Ionized
• Formula: C₁₁H₂₀FO₂-
• SMILES: FCCCCCCCCCCC(=O)[O-]
• InChI: InChI=1/C11H21FO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)/p-1

Potential Energy
Epot(MMFF94)=2.60286 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 203.277 g/mol
• logS: -3.23385
• SlogP: 2.2167
• Reactive groups: 1

Topological Properties

• Globularity: 0.0261154
• Sterimol/B1: 2.1715
• Sterimol/B2: 2.373
• Sterimol/B3: 2.37842
• Sterimol/B4: 3.88351
• Sterimol/L: 18.0987

Surface and Volume Properties

• Accessible surface: 471.901
• Positive charged surface: 334.512
• Negative charged surface: 137.389
• Volume: 212.5
• Hydrophobic surface: 339.103
• Hydrophilic surface: 132.798

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