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CHEMDIV-ZINC04792949

 MMsINC code: MMs00956670
Type: Neutral
Formula: C27H27N3O7
SMILES:   O(C)c1cc(OC)ccc1N1C(=O)c2c(NC1=O)cc(cc2)C(=O)NCCc1cc(OC)c(OC
)cc1
InChI:   InChI=1/C27H27N3O7/c1-34-18-7-9-21(23(15-18)36-3)30-26(32)19-8-6-17(14-20(19)29-27(30)33)25(31)28-12-11-16-5-10-22(35-2)24(13-16)37-4/h5-10,13-15H,11-12H2,1-4H3,(H,28,31)(H,29,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 505.527 g/mol  logS: -5.83279  SlogP: 3.88577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239039  Sterimol/B1: 2.45677  Sterimol/B2: 2.95731  Sterimol/B3: 5.16369
  Sterimol/B4: 7.17605  Sterimol/L: 26.8711 
 
 Surface and Volume Properties
  Accessible surface: 837.512  Positive charged surface: 606.57  Negative charged surface: 230.942  Volume: 463.125
  Hydrophobic surface: 673.787  Hydrophilic surface: 163.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.