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CHEMBRIDGE-ZINC01003688

 MMsINC code: MMs00651595
Type: Neutral
Formula: C22H26N2O4
SMILES:   O(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(OC)cc1
InChI:   InChI=1/C22H26N2O4/c1-27-17-11-13-18(14-12-17)28-15-21(25)24-20-10-6-5-9-19(20)22(26)23-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8,15H2,1H3,(H,23,26)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.46 g/mol  logS: -5.09934  SlogP: 3.7752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283375  Sterimol/B1: 2.51761  Sterimol/B2: 3.10907  Sterimol/B3: 3.93756
  Sterimol/B4: 10.5465  Sterimol/L: 18.8524 
 
 Surface and Volume Properties
  Accessible surface: 695.141  Positive charged surface: 482.67  Negative charged surface: 212.471  Volume: 373.625
  Hydrophobic surface: 614.53  Hydrophilic surface: 80.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.