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ENAMINE-ZINC03500174

 MMsINC code: MMs01476367
Type: Neutral
Formula: C23H24N2O5
SMILES:   O=C1N(CCCC)C(=O)c2c1cc(cc2)C(OCC(=O)N(Cc1ccccc1)C)=O
InChI:   InChI=1/C23H24N2O5/c1-3-4-12-25-21(27)18-11-10-17(13-19(18)22(25)28)23(29)30-15-20(26)24(2)14-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14-15H2,1-2H3

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Potential Energy
Epot(MMFF94)=66.6842 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.19514  SlogP: 3.1645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0259151  Sterimol/B1: 2.91985  Sterimol/B2: 4.23872  Sterimol/B3: 4.51736
  Sterimol/B4: 5.72321  Sterimol/L: 23.3272 
 
 Surface and Volume Properties
  Accessible surface: 721.151  Positive charged surface: 459.891  Negative charged surface: 261.26  Volume: 393.75
  Hydrophobic surface: 545.029  Hydrophilic surface: 176.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.