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MAYBRIDGE-ZINC04322351

 MMsINC code: MMs02165527
Type: Neutral
Formula: C26H22N2O3
SMILES:   o1nc(-c2ccccc2)c(C(ON=C(Cc2ccccc2)Cc2ccccc2)=O)c1C
InChI:   InChI=1/C26H22N2O3/c1-19-24(25(28-30-19)22-15-9-4-10-16-22)26(29)31-27-23(17-20-11-5-2-6-12-20)18-21-13-7-3-8-14-21/h2-16H,17-18H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.473 g/mol  logS: -7.22678  SlogP: 5.64816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985755  Sterimol/B1: 3.06189  Sterimol/B2: 3.07756  Sterimol/B3: 4.14238
  Sterimol/B4: 10.7251  Sterimol/L: 14.4261 
 
 Surface and Volume Properties
  Accessible surface: 679.371  Positive charged surface: 342.995  Negative charged surface: 336.376  Volume: 406.375
  Hydrophobic surface: 614.955  Hydrophilic surface: 64.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.