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NCID-ZINC01621949

 MMsINC code: MMs02269771
Type: Neutral
Formula: C32H32N2O2
SMILES:   O=C(N(CC)c1ccccc1)C(C(C(=O)N(CC)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C32H32N2O2/c1-3-33(27-21-13-7-14-22-27)31(35)29(25-17-9-5-10-18-25)30(26-19-11-6-12-20-26)32(36)34(4-2)28-23-15-8-16-24-28/h5-24,29-30H,3-4H2,1-2H3/t29-,30-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=192.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.62 g/mol  logS: -7.4337  SlogP: 6.6602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202261  Sterimol/B1: 2.26114  Sterimol/B2: 7.16816  Sterimol/B3: 7.29116
  Sterimol/B4: 7.94904  Sterimol/L: 14.7041 
 
 Surface and Volume Properties
  Accessible surface: 741.553  Positive charged surface: 445.649  Negative charged surface: 295.905  Volume: 487.125
  Hydrophobic surface: 697.645  Hydrophilic surface: 43.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.