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ANALYTICONDISCOVERY-ZINC05398499

 MMsINC code: MMs00036188
Type: Neutral
Formula: C15H26N4O5
SMILES:   O(C(=O)C(NC(=O)C1N(CCN(C1)C(=O)C)C(=O)NC(C)C)C)C
InChI:   InChI=1/C15H26N4O5/c1-9(2)16-15(23)19-7-6-18(11(4)20)8-12(19)13(21)17-10(3)14(22)24-5/h9-10,12H,6-8H2,1-5H3,(H,16,23)(H,17,21)/t10-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=100.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.396 g/mol  logS: -1.28349  SlogP: -0.6852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076202  Sterimol/B1: 2.54064  Sterimol/B2: 2.54842  Sterimol/B3: 4.36248
  Sterimol/B4: 10.848  Sterimol/L: 15.0894 
 
 Surface and Volume Properties
  Accessible surface: 611.325  Positive charged surface: 459.865  Negative charged surface: 151.46  Volume: 326
  Hydrophobic surface: 437.437  Hydrophilic surface: 173.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.