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CHEMBRIDGE-ZINC01234979

 MMsINC code: MMs00693435
Type: Neutral
Formula: C32H18N4O4
SMILES:   O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)-c1nc(ncc1)-c1ccc(N2C(=O)c3c(
cccc3)C2=O)cc1
InChI:   InChI=1/C32H18N4O4/c37-29-23-5-1-2-6-24(23)30(38)35(29)21-13-9-19(10-14-21)27-17-18-33-28(34-27)20-11-15-22(16-12-20)36-31(39)25-7-3-4-8-26(25)32(36)40/h1-18H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 522.52 g/mol  logS: -10.116  SlogP: 5.4118  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.21241e-07  Sterimol/B1: 2.10234  Sterimol/B2: 2.10291  Sterimol/B3: 3.6134
  Sterimol/B4: 9.2343  Sterimol/L: 25.7758 
 
 Surface and Volume Properties
  Accessible surface: 805.353  Positive charged surface: 400.649  Negative charged surface: 394.083  Volume: 471
  Hydrophobic surface: 639.68  Hydrophilic surface: 165.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.