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ENAMINE-ZINC04475622

 MMsINC code: MMs01540078
Type: Neutral
Formula: C16H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC(C)C)C(=O)NC1(CCC)CCC
InChI:   InChI=1/C16H28N4O4/c1-5-7-16(8-6-2)13(22)20(15(24)19-16)10-12(21)18-14(23)17-9-11(3)4/h11H,5-10H2,1-4H3,(H,19,24)(H2,17,18,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.22883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.424 g/mol  logS: -3.25474  SlogP: 1.359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382592  Sterimol/B1: 1.969  Sterimol/B2: 3.63539  Sterimol/B3: 4.27384
  Sterimol/B4: 9.00211  Sterimol/L: 18.8157 
 
 Surface and Volume Properties
  Accessible surface: 630.154  Positive charged surface: 445.004  Negative charged surface: 185.15  Volume: 334.625
  Hydrophobic surface: 377.748  Hydrophilic surface: 252.406
 
 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.