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CHEMBRIDGE-ZINC01455378

 MMsINC code: MMs00694155
Type: Neutral
Formula: C26H26N2O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C26H26N2O5/c1-16-10-11-20-19(12-16)24(17-8-6-5-7-9-17)28(15-23(29)27-20)26(30)18-13-21(31-2)25(33-4)22(14-18)32-3/h5-14,24H,15H2,1-4H3,(H,27,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=187.065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.503 g/mol  logS: -5.93681  SlogP: 4.30022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183533  Sterimol/B1: 2.35335  Sterimol/B2: 3.6246  Sterimol/B3: 7.84985
  Sterimol/B4: 8.12789  Sterimol/L: 16.91 
 
 Surface and Volume Properties
  Accessible surface: 707.804  Positive charged surface: 484.216  Negative charged surface: 223.588  Volume: 422.25
  Hydrophobic surface: 615.99  Hydrophilic surface: 91.814
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.