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ENAMINE-ZINC02660330

 MMsINC code: MMs01281733
Type: Neutral
Formula: C24H24ClFN2O5
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(OCC(=O)c1cc(n(CC2OCCC2)c1C)C)=O
InChI:   InChI=1/C24H24ClFN2O5/c1-13-10-17(14(2)28(13)11-16-6-5-9-31-16)20(29)12-32-24(30)21-15(3)33-27-23(21)22-18(25)7-4-8-19(22)26/h4,7-8,10,16H,5-6,9,11-12H2,1-3H3/t16-/m1/s1

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Potential Energy
Epot(MMFF94)=104.049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.916 g/mol  logS: -5.90908  SlogP: 5.34596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878696  Sterimol/B1: 2.23972  Sterimol/B2: 4.23439  Sterimol/B3: 6.8948
  Sterimol/B4: 8.08043  Sterimol/L: 18.6023 
 
 Surface and Volume Properties
  Accessible surface: 754.073  Positive charged surface: 424.363  Negative charged surface: 329.709  Volume: 429.875
  Hydrophobic surface: 670.623  Hydrophilic surface: 83.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.