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ENAMINE-ZINC04469292

 MMsINC code: MMs01539718
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)(C)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C16H26N4O4/c1-10-5-7-16(8-6-10)12(22)20(14(24)19-16)9-11(21)17-13(23)18-15(2,3)4/h10H,5-9H2,1-4H3,(H,19,24)(H2,17,18,21,23)/t10-,16+

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Potential Energy
Epot(MMFF94)=21.1595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -3.40358  SlogP: 1.1114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453739  Sterimol/B1: 2.79424  Sterimol/B2: 3.84198  Sterimol/B3: 4.09174
  Sterimol/B4: 5.55225  Sterimol/L: 18.8607 
 
 Surface and Volume Properties
  Accessible surface: 596.956  Positive charged surface: 414.758  Negative charged surface: 182.198  Volume: 321.75
  Hydrophobic surface: 356.953  Hydrophilic surface: 240.003
 
 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.