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ENAMINE-ZINC03332675

 MMsINC code: MMs01377751
Type: Neutral
Formula: C24H24N2O4
SMILES:   O1CCOc2c1cc(NC(C(=O)Nc1cc(ccc1OC)C)c1ccccc1)cc2
InChI:   InChI=1/C24H24N2O4/c1-16-8-10-20(28-2)19(14-16)26-24(27)23(17-6-4-3-5-7-17)25-18-9-11-21-22(15-18)30-13-12-29-21/h3-11,14-15,23,25H,12-13H2,1-2H3,(H,26,27)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.71957  SlogP: 4.66222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129902  Sterimol/B1: 2.41606  Sterimol/B2: 4.10293  Sterimol/B3: 6.3916
  Sterimol/B4: 9.42315  Sterimol/L: 18.3416 
 
 Surface and Volume Properties
  Accessible surface: 702.684  Positive charged surface: 484.325  Negative charged surface: 218.36  Volume: 390.75
  Hydrophobic surface: 640.963  Hydrophilic surface: 61.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.