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PUBCHEM-ZINC06042050

 MMsINC code: MMs03508938
Type: Neutral
Formula: C19H37NO
SMILES:   O=C(N(CCCCCC)CCCCCC)C1CCCCC1
InChI:   InChI=1/C19H37NO/c1-3-5-7-12-16-20(17-13-8-6-4-2)19(21)18-14-10-9-11-15-18/h18H,3-17H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.7744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.511 g/mol  logS: -5.66092  SlogP: 5.5559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075695  Sterimol/B1: 3.30304  Sterimol/B2: 4.52128  Sterimol/B3: 5.6407
  Sterimol/B4: 7.67442  Sterimol/L: 17.6276 
 
 Surface and Volume Properties
  Accessible surface: 653.388  Positive charged surface: 524.193  Negative charged surface: 129.194  Volume: 347.5
  Hydrophobic surface: 586.895  Hydrophilic surface: 66.493
 
 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.