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PUBCHEM-ZINC04654983

 MMsINC code: MMs03147460
Type: Neutral
Formula: C16H31FO2
SMILES:   FCCCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C16H31FO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=-3.05739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.42 g/mol  logS: -5.5495  SlogP: 5.5019  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0128316  Sterimol/B1: 2.37504  Sterimol/B2: 2.37595  Sterimol/B3: 2.8224
  Sterimol/B4: 3.09777  Sterimol/L: 24.6431 
 
 Surface and Volume Properties
  Accessible surface: 628.984  Positive charged surface: 487.184  Negative charged surface: 141.8  Volume: 306.25
  Hydrophobic surface: 492.151  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03147461
PUBCHEM-ZINC04654983