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CHEMDIV-ZINC03022871

 MMsINC code: MMs00903381
Type: Neutral
Formula: C23H24N2O6
SMILES:   O1CCOC12CCN(CC2)C(=O)c1ccc(cc1)CNC(=O)c1cc2OCOc2cc1
InChI:   InChI=1/C23H24N2O6/c26-21(18-5-6-19-20(13-18)29-15-28-19)24-14-16-1-3-17(4-2-16)22(27)25-9-7-23(8-10-25)30-11-12-31-23/h1-6,13H,7-12,14-15H2,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=95.7376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.453 g/mol  logS: -4.33661  SlogP: 2.5908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0356115  Sterimol/B1: 2.41526  Sterimol/B2: 4.34673  Sterimol/B3: 4.56126
  Sterimol/B4: 5.80752  Sterimol/L: 22.938 
 
 Surface and Volume Properties
  Accessible surface: 696.706  Positive charged surface: 486.868  Negative charged surface: 209.838  Volume: 388
  Hydrophobic surface: 550.554  Hydrophilic surface: 146.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.