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CHEMBRIDGE-ZINC01077399

 MMsINC code: MMs00659227
Type: Neutral
Formula: C22H19Cl2NO3
SMILES:   Clc1cc(Cl)cc2C=C(C(=O)N3CCC(CC3)Cc3ccccc3)C(Oc12)=O
InChI:   InChI=1/C22H19Cl2NO3/c23-17-11-16-12-18(22(27)28-20(16)19(24)13-17)21(26)25-8-6-15(7-9-25)10-14-4-2-1-3-5-14/h1-5,11-13,15H,6-10H2

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Potential Energy
Epot(MMFF94)=87.3789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.304 g/mol  logS: -7.08728  SlogP: 4.77707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731036  Sterimol/B1: 3.47374  Sterimol/B2: 3.93069  Sterimol/B3: 4.7193
  Sterimol/B4: 5.55083  Sterimol/L: 19.5915 
 
 Surface and Volume Properties
  Accessible surface: 654.528  Positive charged surface: 316.211  Negative charged surface: 338.317  Volume: 368.875
  Hydrophobic surface: 574.725  Hydrophilic surface: 79.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.