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ENAMINE-ZINC03463268

 MMsINC code: MMs01458279
Type: Neutral
Formula: C18H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C18H28N4O4/c23-14(20-16(25)19-13-8-4-5-9-13)12-22-15(24)18(21-17(22)26)10-6-2-1-3-7-11-18/h13H,1-12H2,(H,21,26)(H2,19,20,23,25)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.7633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.446 g/mol  logS: -3.89309  SlogP: 1.7897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610262  Sterimol/B1: 3.23587  Sterimol/B2: 3.49182  Sterimol/B3: 4.51013
  Sterimol/B4: 5.219  Sterimol/L: 18.8172 
 
 Surface and Volume Properties
  Accessible surface: 618.24  Positive charged surface: 446.346  Negative charged surface: 171.893  Volume: 343.25
  Hydrophobic surface: 444.383  Hydrophilic surface: 173.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.