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BACHEM-ZINC04899797

 MMsINC code: MMs00485346
Type: Neutral
Formula: C20H30N4O5
SMILES:   OC(=O)C1N(CCC1)C(=O)C1N(CCC1)C(=O)C1N(CCC1)C(=O)C1NCCC1
InChI:   InChI=1/C20H30N4O5/c25-17(13-5-1-9-21-13)22-10-2-6-14(22)18(26)23-11-3-7-15(23)19(27)24-12-4-8-16(24)20(28)29/h13-16,21H,1-12H2,(H,28,29)/t13-,14-,15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.483 g/mol  logS: -1.76258  SlogP: -0.204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153202  Sterimol/B1: 2.24983  Sterimol/B2: 3.9705  Sterimol/B3: 5.62498
  Sterimol/B4: 8.54336  Sterimol/L: 15.8897 
 
 Surface and Volume Properties
  Accessible surface: 659.271  Positive charged surface: 508.861  Negative charged surface: 150.41  Volume: 383.5
  Hydrophobic surface: 500.355  Hydrophilic surface: 158.916
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: no related molecules available.