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PUBCHEM-ZINC01567543

 MMsINC code: MMs02814719
Type: Neutral
Formula: C23H24N4O3
SMILES:   O(CCC)c1ccc(cc1C(=O)NCc1cccnc1)C(=O)NCc1cccnc1
InChI:   InChI=1/C23H24N4O3/c1-2-11-30-21-8-7-19(22(28)26-15-17-5-3-9-24-13-17)12-20(21)23(29)27-16-18-6-4-10-25-14-18/h3-10,12-14H,2,11,15-16H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.5789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.47 g/mol  logS: -3.27602  SlogP: 3.6582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0448454  Sterimol/B1: 2.26412  Sterimol/B2: 3.45749  Sterimol/B3: 3.82084
  Sterimol/B4: 14.3793  Sterimol/L: 18.3352 
 
 Surface and Volume Properties
  Accessible surface: 742.064  Positive charged surface: 521.068  Negative charged surface: 220.996  Volume: 393.5
  Hydrophobic surface: 599.766  Hydrophilic surface: 142.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.