PUBCHEM-ZINC01846650

MMsINC code: MMs02824239

• Type: Neutral
• Formula: C₁₁H₂₁FO₂
• 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)

Potential Energy
Epot(MMFF94)=-3.00888 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 204.285 g/mol
• logS: -2.9734
• SlogP: 3.5514
• Reactive groups: 1

Topological Properties

• Globularity: 0.0243215
• Sterimol/B1: 2.12988
• Sterimol/B2: 2.37497
• Sterimol/B3: 2.37582
• Sterimol/B4: 3.8003
• Sterimol/L: 18.3998

Surface and Volume Properties

• Accessible surface: 474.413
• Positive charged surface: 352.175
• Negative charged surface: 122.238
• Volume: 214.5
• Hydrophobic surface: 339.49
• Hydrophilic surface: 134.923

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