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NCID-ZINC05741902

 MMsINC code: MMs02493092
Type: Neutral
Formula: C32H36N4O4
SMILES:   O(C)c1cc2CNc3c(CNc4cc(OC)c(OC)cc4CNc4c(CNc2cc1OC)cccc4)cccc3
InChI:   InChI=1/C32H36N4O4/c1-37-29-13-23-19-33-25-11-7-5-10-22(25)18-36-28-16-32(40-4)30(38-2)14-24(28)20-34-26-12-8-6-9-21(26)17-35-27(23)15-31(29)39-3/h5-16,33-36H,17-20H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=308.223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 540.664 g/mol  logS: -6.19834  SlogP: 7.5484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06325  Sterimol/B1: 2.76537  Sterimol/B2: 4.87323  Sterimol/B3: 5.37956
  Sterimol/B4: 10.7785  Sterimol/L: 19.0849 
 
 Surface and Volume Properties
  Accessible surface: 817.428  Positive charged surface: 603.406  Negative charged surface: 214.022  Volume: 521.875
  Hydrophobic surface: 730.608  Hydrophilic surface: 86.82
 
 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: 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.