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ENAMINE-ZINC05017605

 MMsINC code: MMs01575294
Type: Neutral
Formula: C24H25NO6
SMILES:   O1CCOc2c1cc(cc2)C(=O)c1ccccc1C(OCC(=O)N1CCCCC1C)=O
InChI:   InChI=1/C24H25NO6/c1-16-6-4-5-11-25(16)22(26)15-31-24(28)19-8-3-2-7-18(19)23(27)17-9-10-20-21(14-17)30-13-12-29-20/h2-3,7-10,14,16H,4-6,11-13,15H2,1H3/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.465 g/mol  logS: -5.23696  SlogP: 3.2466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711699  Sterimol/B1: 3.45513  Sterimol/B2: 4.8988  Sterimol/B3: 5.99035
  Sterimol/B4: 8.01383  Sterimol/L: 15.973 
 
 Surface and Volume Properties
  Accessible surface: 698.055  Positive charged surface: 483.382  Negative charged surface: 214.673  Volume: 397.5
  Hydrophobic surface: 591.628  Hydrophilic surface: 106.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.