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NCID-ZINC01658725

 MMsINC code: MMs02296528
Type: Neutral
Formula: C16H29N5O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N1N(CCC1)C(=O)NC(C(=O)NC)C)C
InChI:   InChI=1/C16H29N5O5/c1-10(12(22)17-6)18-14(24)21-9-7-8-20(21)13(23)11(2)19-15(25)26-16(3,4)5/h10-11H,7-9H2,1-6H3,(H,17,22)(H,18,24)(H,19,25)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=81.7181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.438 g/mol  logS: -2.08546  SlogP: 0.193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539462  Sterimol/B1: 2.31546  Sterimol/B2: 2.7996  Sterimol/B3: 5.59752
  Sterimol/B4: 7.9315  Sterimol/L: 19.672 
 
 Surface and Volume Properties
  Accessible surface: 676.09  Positive charged surface: 504.965  Negative charged surface: 171.125  Volume: 354.875
  Hydrophobic surface: 445.861  Hydrophilic surface: 230.229
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.