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CHEMBRIDGE-ZINC04902123

 MMsINC code: MMs00809775
Type: Neutral
Formula: C24H24ClN3O
SMILES:   Clc1ccccc1NC(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C24H24ClN3O/c25-21-13-7-8-14-22(21)26-24(29)28-17-15-27(16-18-28)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2,(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.824 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.929 g/mol  logS: -5.63902  SlogP: 5.3746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672783  Sterimol/B1: 2.31223  Sterimol/B2: 3.87126  Sterimol/B3: 4.07698
  Sterimol/B4: 9.32556  Sterimol/L: 17.5474 
 
 Surface and Volume Properties
  Accessible surface: 671.604  Positive charged surface: 391.739  Negative charged surface: 279.865  Volume: 392.5
  Hydrophobic surface: 642.402  Hydrophilic surface: 29.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00809776
CHEMBRIDGE-ZINC04902123