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CHEMBRIDGE-ZINC01212862

 MMsINC code: MMs00688777
Type: Neutral
Formula: C26H27N3O6
SMILES:   O(C)c1c(OC)cc(cc1OC)C(Oc1cc(ccc1)\C=N\NC(=O)CNc1ccc(cc1)C)=O
InChI:   InChI=1/C26H27N3O6/c1-17-8-10-20(11-9-17)27-16-24(30)29-28-15-18-6-5-7-21(12-18)35-26(31)19-13-22(32-2)25(34-4)23(14-19)33-3/h5-15,27H,16H2,1-4H3,(H,29,30)/b28-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=184.359 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.517 g/mol  logS: -6.10017  SlogP: 3.80222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.030796  Sterimol/B1: 3.97939  Sterimol/B2: 4.42611  Sterimol/B3: 4.92149
  Sterimol/B4: 7.34745  Sterimol/L: 27.0162 
 
 Surface and Volume Properties
  Accessible surface: 857.589  Positive charged surface: 606.537  Negative charged surface: 251.052  Volume: 455.5
  Hydrophobic surface: 704.524  Hydrophilic surface: 153.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.