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CHEMBRIDGE-ZINC00692662

 MMsINC code: MMs00640765
Type: Neutral
Formula: C25H21N3O5
SMILES:   O(CC(=O)Nc1cc(ccc1)C(=O)NN1C(=O)c2c(cccc2)C1=O)c1cc(ccc1C)C
InChI:   InChI=1/C25H21N3O5/c1-15-10-11-16(2)21(12-15)33-14-22(29)26-18-7-5-6-17(13-18)23(30)27-28-24(31)19-8-3-4-9-20(19)25(28)32/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 443.459 g/mol  logS: -6.66832  SlogP: 3.26194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03554  Sterimol/B1: 3.04221  Sterimol/B2: 5.20593  Sterimol/B3: 5.7377
  Sterimol/B4: 6.84614  Sterimol/L: 21.6392 
 
 Surface and Volume Properties
  Accessible surface: 752.069  Positive charged surface: 419.941  Negative charged surface: 332.129  Volume: 410.625
  Hydrophobic surface: 579.826  Hydrophilic surface: 172.243
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.