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CHEMDIV-ZINC03660432

 MMsINC code: MMs00915749
Type: Neutral
Formula: C32H28N2O6
SMILES:   O(c1ccc(NC(=O)C=2c3c(cc(OC)c(OC)c3)C(=O)N(C=2)c2ccc(OCC)cc2)
cc1)c1ccccc1
InChI:   InChI=1/C32H28N2O6/c1-4-39-23-16-12-22(13-17-23)34-20-28(26-18-29(37-2)30(38-3)19-27(26)32(34)36)31(35)33-21-10-14-25(15-11-21)40-24-8-6-5-7-9-24/h5-20H,4H2,1-3H3,(H,33,35)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=203.544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 536.584 g/mol  logS: -7.91093  SlogP: 6.5348  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359689  Sterimol/B1: 2.17743  Sterimol/B2: 3.70708  Sterimol/B3: 4.12317
  Sterimol/B4: 15.3565  Sterimol/L: 21.0291 
 
 Surface and Volume Properties
  Accessible surface: 879.036  Positive charged surface: 574.393  Negative charged surface: 304.644  Volume: 507
  Hydrophobic surface: 776.791  Hydrophilic surface: 102.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.