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CHEMBRIDGE-ZINC00639646

 MMsINC code: MMs00637407
Type: Neutral
Formula: C29H28N4O4
SMILES:   O(C)c1ccc(NC(=O)Nc2ccc(cc2)Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc
1
InChI:   InChI=1/C29H28N4O4/c1-36-26-15-11-24(12-16-26)32-28(34)30-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)31-29(35)33-25-13-17-27(37-2)18-14-25/h3-18H,19H2,1-2H3,(H2,30,32,34)(H2,31,33,35)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=141.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.567 g/mol  logS: -7.33636  SlogP: 6.58257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344503  Sterimol/B1: 3.2049  Sterimol/B2: 4.48456  Sterimol/B3: 4.51161
  Sterimol/B4: 10.5932  Sterimol/L: 23.6477 
 
 Surface and Volume Properties
  Accessible surface: 862.347  Positive charged surface: 579.732  Negative charged surface: 282.615  Volume: 477.25
  Hydrophobic surface: 720.024  Hydrophilic surface: 142.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.