PUBCHEM-ZINC01999057

MMsINC code: MMs02841545

• Type: Neutral
• Formula: C₁₀H₁₉FO₂
• SMILES: FCCCCCCCCCC(O)=O
• InChI: InChI=1/C10H19FO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)

Potential Energy
Epot(MMFF94)=-3.06196 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 190.258 g/mol
• logS: -2.45818
• SlogP: 3.1613
• Reactive groups: 1

Topological Properties

• Globularity: 0.0283469
• Sterimol/B1: 2.25089
• Sterimol/B2: 2.37498
• Sterimol/B3: 2.37579
• Sterimol/B4: 3.65104
• Sterimol/L: 17.1457

Surface and Volume Properties

• Accessible surface: 444.088
• Positive charged surface: 325.271
• Negative charged surface: 118.817
• Volume: 201
• Hydrophobic surface: 308.363
• Hydrophilic surface: 135.725

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• Acid groups: 0
• 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