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PUBCHEM-ZINC06042198

 MMsINC code: MMs03509048
Type: Neutral
Formula: C19H37NO
SMILES:   O=C(N(CCCCC)CCCCC)CCC1CCCCC1
InChI:   InChI=1/C19H37NO/c1-3-5-10-16-20(17-11-6-4-2)19(21)15-14-18-12-8-7-9-13-18/h18H,3-17H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.3463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.511 g/mol  logS: -5.97437  SlogP: 5.5559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0743139  Sterimol/B1: 2.13634  Sterimol/B2: 3.71704  Sterimol/B3: 4.03806
  Sterimol/B4: 11.3234  Sterimol/L: 17.4171 
 
 Surface and Volume Properties
  Accessible surface: 660.246  Positive charged surface: 529.411  Negative charged surface: 130.835  Volume: 347.625
  Hydrophobic surface: 589.033  Hydrophilic surface: 71.213
 
 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.