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ASINEX-ZINC04713656

 MMsINC code: MMs00363153
Type: Neutral
Formula: C17H33N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C17H33N3O4/c1-10(2)8-12(14(18)21)19-15(22)13(9-11(3)4)20-16(23)24-17(5,6)7/h10-13H,8-9H2,1-7H3,(H2,18,21)(H,19,22)(H,20,23)/t12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=61.5525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.468 g/mol  logS: -4.39153  SlogP: 1.942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135104  Sterimol/B1: 2.37239  Sterimol/B2: 4.16825  Sterimol/B3: 4.32807
  Sterimol/B4: 9.32281  Sterimol/L: 15.4145 
 
 Surface and Volume Properties
  Accessible surface: 646.905  Positive charged surface: 450.038  Negative charged surface: 196.868  Volume: 352.25
  Hydrophobic surface: 374.788  Hydrophilic surface: 272.117
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.