PUBCHEM-ZINC02040762

MMsINC code: MMs02862836

• Type: Ionized
• Formula: C₈H₁₄FO₂-
• SMILES: FCCCCCCCC(=O)[O-]
• InChI: InChI=1/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=3.21409 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 161.196 g/mol
• logS: -1.68819
• SlogP: 1.0464
• Reactive groups: 1

Topological Properties

• Globularity: 0.0449658
• Sterimol/B1: 2.37263
• Sterimol/B2: 2.37868
• Sterimol/B3: 2.89032
• Sterimol/B4: 3.07853
• Sterimol/L: 14.289

Surface and Volume Properties

• Accessible surface: 381.415
• Positive charged surface: 254.195
• Negative charged surface: 127.22
• Volume: 161.125
• Hydrophobic surface: 248.399
• Hydrophilic surface: 133.016

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