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ENAMINE-ZINC06427505

 MMsINC code: MMs01663193
Type: Neutral
Formula: C24H27ClN2O2
SMILES:   Clc1ccc(cc1)COc1ccccc1C(=O)N\N=C\1/CCC=C/1CCCCC
InChI:   InChI=1/C24H27ClN2O2/c1-2-3-4-8-19-9-7-11-22(19)26-27-24(28)21-10-5-6-12-23(21)29-17-18-13-15-20(25)16-14-18/h5-6,9-10,12-16H,2-4,7-8,11,17H2,1H3,(H,27,28)/b26-22+

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Potential Energy
Epot(MMFF94)=101.962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.945 g/mol  logS: -7.11795  SlogP: 6.5717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.064009  Sterimol/B1: 2.447  Sterimol/B2: 3.63763  Sterimol/B3: 5.15518
  Sterimol/B4: 11.4817  Sterimol/L: 14.3464 
 
 Surface and Volume Properties
  Accessible surface: 763.958  Positive charged surface: 462.567  Negative charged surface: 301.391  Volume: 409.875
  Hydrophobic surface: 670.781  Hydrophilic surface: 93.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.