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PUBCHEM-ZINC05454167

 MMsINC code: MMs03273778
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1NC(CC1)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C16H26N4O4/c1-9(2)8-11(19-15(23)10-5-6-13(21)18-10)16(24)20-7-3-4-12(20)14(17)22/h9-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21)(H,19,23)/t10-,11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=97.3631 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -2.62515  SlogP: -0.7278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15881  Sterimol/B1: 3.13334  Sterimol/B2: 3.91662  Sterimol/B3: 5.67589
  Sterimol/B4: 6.09903  Sterimol/L: 15.5038 
 
 Surface and Volume Properties
  Accessible surface: 578.515  Positive charged surface: 409.853  Negative charged surface: 168.662  Volume: 320.625
  Hydrophobic surface: 339.674  Hydrophilic surface: 238.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.