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CHEMBRIDGE-ZINC04700748

 MMsINC code: MMs00777883
Type: Neutral
Formula: C24H26N2O
SMILES:   O=C(N1CCN(CC1)Cc1ccc(cc1)CC)c1c2c(ccc1)cccc2
InChI:   InChI=1/C24H26N2O/c1-2-19-10-12-20(13-11-19)18-25-14-16-26(17-15-25)24(27)23-9-5-7-21-6-3-4-8-22(21)23/h3-13H,2,14-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -6.10667  SlogP: 4.62657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0845046  Sterimol/B1: 3.39374  Sterimol/B2: 3.42242  Sterimol/B3: 4.81959
  Sterimol/B4: 7.05419  Sterimol/L: 18.3193 
 
 Surface and Volume Properties
  Accessible surface: 651.058  Positive charged surface: 423.075  Negative charged surface: 218.986  Volume: 373.875
  Hydrophobic surface: 596.244  Hydrophilic surface: 54.814
 
 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


MMs00777884
CHEMBRIDGE-ZINC04700748