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CHEMBRIDGE-ZINC02897366

 MMsINC code: MMs00738059
Type: Neutral
Formula: C28H24N2O2
SMILES:   Oc1c(cccc1\C=N\c1ccc(cc1)-c1ccc(\N=C\c2cccc(C)c2O)cc1)C
InChI:   InChI=1/C28H24N2O2/c1-19-5-3-7-23(27(19)31)17-29-25-13-9-21(10-14-25)22-11-15-26(16-12-22)30-18-24-8-4-6-20(2)28(24)32/h3-18,31-32H,1-2H3/b29-17+,30-18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.512 g/mol  logS: -7.25778  SlogP: 6.88284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0213024  Sterimol/B1: 2.45724  Sterimol/B2: 2.493  Sterimol/B3: 4.76829
  Sterimol/B4: 5.01736  Sterimol/L: 24.7242 
 
 Surface and Volume Properties
  Accessible surface: 752.413  Positive charged surface: 441.212  Negative charged surface: 301.02  Volume: 421.75
  Hydrophobic surface: 667.871  Hydrophilic surface: 84.542
 
 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.