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CHEMBRIDGE-ZINC02769783

 MMsINC code: MMs00716056
Type: Neutral
Formula: C27H26N2O4
SMILES:   O(C)c1ccc(OC)cc1-c1nc2c(cccc2)c(c1)C(=O)NC(C)c1ccc(OC)cc1
InChI:   InChI=1/C27H26N2O4/c1-17(18-9-11-19(31-2)12-10-18)28-27(30)22-16-25(29-24-8-6-5-7-21(22)24)23-15-20(32-3)13-14-26(23)33-4/h5-17H,1-4H3,(H,28,30)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.515 g/mol  logS: -6.76098  SlogP: 5.5141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473309  Sterimol/B1: 2.04766  Sterimol/B2: 5.25731  Sterimol/B3: 5.2688
  Sterimol/B4: 10.2584  Sterimol/L: 17.1234 
 
 Surface and Volume Properties
  Accessible surface: 747.852  Positive charged surface: 499.951  Negative charged surface: 237.544  Volume: 432.375
  Hydrophobic surface: 663.939  Hydrophilic surface: 83.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.