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NCID-ZINC01610402

 MMsINC code: MMs02261222
Type: Neutral
Formula: C14H26O2
SMILES:   O(C(=O)CCCCCCCCCCC=C)C
InChI:   InChI=1/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3H,1,4-13H2,2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.8362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.36 g/mol  logS: -5.00744  SlogP: 4.2464  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0184247  Sterimol/B1: 2.69767  Sterimol/B2: 2.76717  Sterimol/B3: 2.78953
  Sterimol/B4: 3.28163  Sterimol/L: 21.7913 
 
 Surface and Volume Properties
  Accessible surface: 571.329  Positive charged surface: 441.637  Negative charged surface: 129.692  Volume: 264
  Hydrophobic surface: 475.911  Hydrophilic surface: 95.418
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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
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Ions/Tautomers related molecules: no related molecules available.