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BACHEM-ZINC04899724

 MMsINC code: MMs00485248
Type: Neutral
Formula: C17H30N4O5
SMILES:   O(C(=O)C(NC(=O)C1N(CCC1)C(=O)C(NC(=O)C(N)C)C)C(C)C)C
InChI:   InChI=1/C17H30N4O5/c1-9(2)13(17(25)26-5)20-15(23)12-7-6-8-21(12)16(24)11(4)19-14(22)10(3)18/h9-13H,6-8,18H2,1-5H3,(H,19,22)(H,20,23)/t10-,11-,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=119.362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.45 g/mol  logS: -2.03934  SlogP: -0.8569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752885  Sterimol/B1: 3.07423  Sterimol/B2: 3.34074  Sterimol/B3: 4.34015
  Sterimol/B4: 8.53681  Sterimol/L: 18.285 
 
 Surface and Volume Properties
  Accessible surface: 654.31  Positive charged surface: 489.831  Negative charged surface: 164.479  Volume: 358.5
  Hydrophobic surface: 432.89  Hydrophilic surface: 221.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs00485249
BACHEM-ZINC04899724