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PUBCHEM-ZINC00640557

 MMsINC code: MMs02718131
Type: Neutral
Formula: C23H36N4O2
SMILES:   O=C(N(C)C1CCCCC1)Nc1cc(NC(=O)N(C)C2CCCCC2)ccc1C
InChI:   InChI=1/C23H36N4O2/c1-17-14-15-18(24-22(28)26(2)19-10-6-4-7-11-19)16-21(17)25-23(29)27(3)20-12-8-5-9-13-20/h14-16,19-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.7362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.567 g/mol  logS: -4.36227  SlogP: 5.58782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397984  Sterimol/B1: 2.29384  Sterimol/B2: 3.53942  Sterimol/B3: 3.78489
  Sterimol/B4: 9.65898  Sterimol/L: 20.2879 
 
 Surface and Volume Properties
  Accessible surface: 728.633  Positive charged surface: 559.686  Negative charged surface: 168.947  Volume: 414.375
  Hydrophobic surface: 670.041  Hydrophilic surface: 58.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.