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CHEMDIV-ZINC04760784

 MMsINC code: MMs00948322
Type: Neutral
Formula: C26H25N3O5
SMILES:   O(C)c1c(OC)cc(NC(=O)c2c3c(cccc3)c(nc2)Nc2ccccc2OC)cc1OC
InChI:   InChI=1/C26H25N3O5/c1-31-21-12-8-7-11-20(21)29-25-18-10-6-5-9-17(18)19(15-27-25)26(30)28-16-13-22(32-2)24(34-4)23(14-16)33-3/h5-15H,1-4H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=197.2 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.502 g/mol  logS: -6.10771  SlogP: 5.2651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299579  Sterimol/B1: 2.39759  Sterimol/B2: 4.73502  Sterimol/B3: 6.16497
  Sterimol/B4: 6.60189  Sterimol/L: 21.0894 
 
 Surface and Volume Properties
  Accessible surface: 758.081  Positive charged surface: 567.35  Negative charged surface: 180.468  Volume: 433.875
  Hydrophobic surface: 689.07  Hydrophilic surface: 69.011
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.