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ANALYTICONDISCOVERY-ZINC05398196

 MMsINC code: MMs00036138
Type: Neutral
Formula: C16H26N4O6
SMILES:   O1CCN(CC1)C(=O)N1CCN(CC1C(=O)NC(C(OC)=O)C)C(=O)C
InChI:   InChI=1/C16H26N4O6/c1-11(15(23)25-3)17-14(22)13-10-19(12(2)21)4-5-20(13)16(24)18-6-8-26-9-7-18/h11,13H,4-10H2,1-3H3,(H,17,22)/t11-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=165.716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.406 g/mol  logS: -0.81456  SlogP: -1.351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521505  Sterimol/B1: 3.17752  Sterimol/B2: 3.40657  Sterimol/B3: 4.48377
  Sterimol/B4: 9.03223  Sterimol/L: 16.4504 
 
 Surface and Volume Properties
  Accessible surface: 610.264  Positive charged surface: 480.096  Negative charged surface: 130.168  Volume: 336.75
  Hydrophobic surface: 464.45  Hydrophilic surface: 145.814
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.