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NCID-ZINC05046457

 MMsINC code: MMs02431930
Type: Neutral
Formula: C18H34O
SMILES:   O=C1CCCCCCCCCCCCCCCCC1
InChI:   InChI=1/C18H34O/c19-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-18/h1-17H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.5546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.469 g/mol  logS: -6.93597  SlogP: 6.2008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110545  Sterimol/B1: 2.37551  Sterimol/B2: 2.49117  Sterimol/B3: 3.73358
  Sterimol/B4: 9.6661  Sterimol/L: 12.2917 
 
 Surface and Volume Properties
  Accessible surface: 548.699  Positive charged surface: 444.199  Negative charged surface: 104.501  Volume: 319.5
  Hydrophobic surface: 518.504  Hydrophilic surface: 30.195
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.