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PUBCHEM-ZINC02555345

 MMsINC code: MMs02900365
Type: Neutral
Formula: C14H26O
SMILES:   OCCCCCCCCC#CCCCC
InChI:   InChI=1/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-4,7-14H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.75444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.361 g/mol  logS: -4.8425  SlogP: 3.90301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153401  Sterimol/B1: 2.3754  Sterimol/B2: 2.37559  Sterimol/B3: 2.88689
  Sterimol/B4: 3.36494  Sterimol/L: 21.5979 
 
 Surface and Volume Properties
  Accessible surface: 561.732  Positive charged surface: 456.611  Negative charged surface: 105.121  Volume: 259.375
  Hydrophobic surface: 453.969  Hydrophilic surface: 107.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.