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CHEMSTAR-ZINC04044766

 MMsINC code: MMs01089248
Type: Neutral
Formula: C26H24N4O2
SMILES:   Oc1c2c(cccc2)c(N=Nc2ccc(cc2)C)cc1C(=O)Nc1ccccc1N(C)C
InChI:   InChI=1/C26H24N4O2/c1-17-12-14-18(15-13-17)28-29-23-16-21(25(31)20-9-5-4-8-19(20)23)26(32)27-22-10-6-7-11-24(22)30(2)3/h4-16,31H,1-3H3,(H,27,32)/b29-28+

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Potential Energy
Epot(MMFF94)=188.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.504 g/mol  logS: -7.16493  SlogP: 6.58752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371212  Sterimol/B1: 2.36339  Sterimol/B2: 2.90768  Sterimol/B3: 4.37992
  Sterimol/B4: 12.3945  Sterimol/L: 17.8697 
 
 Surface and Volume Properties
  Accessible surface: 724.793  Positive charged surface: 442.395  Negative charged surface: 272.047  Volume: 417.5
  Hydrophobic surface: 667.292  Hydrophilic surface: 57.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.