PUBCHEM-ZINC02040762

MMsINC code: MMs02862835

• Type: Neutral
• Formula: C₈H₁₅FO₂
• SMILES: FCCCCCCCC(O)=O
• InChI: InChI=1/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)

Potential Energy
Epot(MMFF94)=-2.78237 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 162.204 g/mol
• logS: -1.42774
• SlogP: 2.3811
• Reactive groups: 1

Topological Properties

• Globularity: 0.0398804
• Sterimol/B1: 2.37501
• Sterimol/B2: 2.37611
• Sterimol/B3: 2.735
• Sterimol/B4: 3.15089
• Sterimol/L: 14.6438

Surface and Volume Properties

• Accessible surface: 387.272
• Positive charged surface: 274.786
• Negative charged surface: 112.486
• Volume: 166.75
• Hydrophobic surface: 250.439
• Hydrophilic surface: 136.833

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