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NCID-ZINC04897228

 MMsINC code: MMs02414258
Type: Neutral
Formula: C18H38O
SMILES:   OCC(C(CC(C)(C)C)C)CCC(CC(C)(C)C)C
InChI:   InChI=1/C18H38O/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3/t14-,15+,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.501 g/mol  logS: -7.33183  SlogP: 5.5197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747373  Sterimol/B1: 2.59579  Sterimol/B2: 3.28886  Sterimol/B3: 4.32314
  Sterimol/B4: 6.95652  Sterimol/L: 15.9253 
 
 Surface and Volume Properties
  Accessible surface: 568.815  Positive charged surface: 419.698  Negative charged surface: 149.117  Volume: 327.875
  Hydrophobic surface: 396.269  Hydrophilic surface: 172.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.