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NCID-ZINC01556841

 MMsINC code: MMs02220206
Type: Neutral
Formula: C24H18N4
SMILES:   n1ccccc1/C(=N/c1ccccc1)/C(=N/c1ccccc1)/c1cccnc1
InChI:   InChI=1/C24H18N4/c1-3-11-20(12-4-1)27-23(19-10-9-16-25-18-19)24(22-15-7-8-17-26-22)28-21-13-5-2-6-14-21/h1-18H/b27-23+,28-24+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.436 g/mol  logS: -5.26294  SlogP: 5.4184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106886  Sterimol/B1: 3.37027  Sterimol/B2: 3.68224  Sterimol/B3: 4.63077
  Sterimol/B4: 7.23588  Sterimol/L: 16.0425 
 
 Surface and Volume Properties
  Accessible surface: 616.688  Positive charged surface: 402.644  Negative charged surface: 214.045  Volume: 362.875
  Hydrophobic surface: 589.066  Hydrophilic surface: 27.622
 
 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.