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CHEMDIV-ZINC04718262

 MMsINC code: MMs00944337
Type: Neutral
Formula: C23H24N2O
SMILES:   Oc1ccc(cc1CN1CCN(CC1)c1ccccc1)-c1ccccc1
InChI:   InChI=1/C23H24N2O/c26-23-12-11-20(19-7-3-1-4-8-19)17-21(23)18-24-13-15-25(16-14-24)22-9-5-2-6-10-22/h1-12,17,26H,13-16,18H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=166.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -5.19135  SlogP: 4.6478  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.080161  Sterimol/B1: 2.79503  Sterimol/B2: 3.8309  Sterimol/B3: 4.03304
  Sterimol/B4: 7.6823  Sterimol/L: 17.998 
 
 Surface and Volume Properties
  Accessible surface: 612.802  Positive charged surface: 380.894  Negative charged surface: 221.769  Volume: 354.25
  Hydrophobic surface: 558.016  Hydrophilic surface: 54.786
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00944338
CHEMDIV-ZINC04718262