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NCID-ZINC05849896

 MMsINC code: MMs02507595
Type: Neutral
Formula: C22H26ClNO4
SMILES:   ClCCc1cc(OC)c(OC)cc1CC1=NCCc2c1cc(OC)c(OC)c2
InChI:   InChI=1/C22H26ClNO4/c1-25-19-10-14(5-7-23)16(12-21(19)27-3)9-18-17-13-22(28-4)20(26-2)11-15(17)6-8-24-18/h10-13H,5-9H2,1-4H3

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Potential Energy
Epot(MMFF94)=145.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.906 g/mol  logS: -4.79963  SlogP: 4.09011  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.150347  Sterimol/B1: 3.75523  Sterimol/B2: 3.79589  Sterimol/B3: 5.43622
  Sterimol/B4: 7.65471  Sterimol/L: 18.3034 
 
 Surface and Volume Properties
  Accessible surface: 684.324  Positive charged surface: 537.381  Negative charged surface: 146.943  Volume: 388.125
  Hydrophobic surface: 579.671  Hydrophilic surface: 104.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.