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NCID-ZINC01639638

 MMsINC code: MMs02281809
Type: Neutral
Formula: C38H30N4O3
SMILES:   O(c1ccc(NC(=O)Nc2ccc(cc2)-c2ccccc2)cc1)c1ccc(NC(=O)Nc2ccc(cc
2)-c2ccccc2)cc1
InChI:   InChI=1/C38H30N4O3/c43-37(39-31-15-11-29(12-16-31)27-7-3-1-4-8-27)41-33-19-23-35(24-20-33)45-36-25-21-34(22-26-36)42-38(44)40-32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H,(H2,39,41,43)(H2,40,42,44)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=192.965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 590.683 g/mol  logS: -11.7547  SlogP: 10.1009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255403  Sterimol/B1: 2.83738  Sterimol/B2: 3.17939  Sterimol/B3: 4.31227
  Sterimol/B4: 14.8015  Sterimol/L: 20.1224 
 
 Surface and Volume Properties
  Accessible surface: 984.813  Positive charged surface: 530.937  Negative charged surface: 432.184  Volume: 572.875
  Hydrophobic surface: 866.345  Hydrophilic surface: 118.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.