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CHEMBLOCK-ZINC02948240

 MMsINC code: MMs00534627
Type: Neutral
Formula: C23H24N2O5
SMILES:   O(CCOc1ccc(cc1)C(C)(C)C)c1ccccc1C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C23H24N2O5/c1-23(2,3)16-8-10-17(11-9-16)29-12-13-30-19-7-5-4-6-15(19)14-18-20(26)24-22(28)25-21(18)27/h4-11,14H,12-13H2,1-3H3,(H2,24,25,26,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.3682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -6.72578  SlogP: 3.1913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0528782  Sterimol/B1: 2.97317  Sterimol/B2: 4.42003  Sterimol/B3: 5.60948
  Sterimol/B4: 6.67645  Sterimol/L: 17.9124 
 
 Surface and Volume Properties
  Accessible surface: 694.733  Positive charged surface: 438.541  Negative charged surface: 256.192  Volume: 384.875
  Hydrophobic surface: 454.882  Hydrophilic surface: 239.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.