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ENAMINE-ZINC04195146

 MMsINC code: MMs01532777
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCCC(C)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C16H26N4O4/c1-11(2)6-9-17-14(23)18-12(21)10-20-13(22)16(19-15(20)24)7-4-3-5-8-16/h11H,3-10H2,1-2H3,(H,19,24)(H2,17,18,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.47492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -3.46615  SlogP: 1.113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287076  Sterimol/B1: 3.68221  Sterimol/B2: 3.9973  Sterimol/B3: 4.10278
  Sterimol/B4: 4.56549  Sterimol/L: 20.0598 
 
 Surface and Volume Properties
  Accessible surface: 609.685  Positive charged surface: 432.882  Negative charged surface: 176.803  Volume: 322.5
  Hydrophobic surface: 385.334  Hydrophilic surface: 224.351
 
 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.