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CHEMSTAR-ZINC03146511

 MMsINC code: MMs01084116
Type: Neutral
Formula: C26H30N4O2
SMILES:   O=C1N(CCCCCCN2C(=Nc3c(cccc3)C2=O)CC)C(=Nc2c1cccc2)CC
InChI:   InChI=1/C26H30N4O2/c1-3-23-27-21-15-9-7-13-19(21)25(31)29(23)17-11-5-6-12-18-30-24(4-2)28-22-16-10-8-14-20(22)26(30)32/h7-10,13-16H,3-6,11-12,17-18H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.8729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.552 g/mol  logS: -5.80572  SlogP: 5.7388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263042  Sterimol/B1: 2.40926  Sterimol/B2: 2.85476  Sterimol/B3: 3.86854
  Sterimol/B4: 8.38434  Sterimol/L: 22.7805 
 
 Surface and Volume Properties
  Accessible surface: 769.53  Positive charged surface: 512.804  Negative charged surface: 256.726  Volume: 433.75
  Hydrophobic surface: 646.814  Hydrophilic surface: 122.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.