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CHEMBRIDGE-ZINC04022838

 MMsINC code: MMs00759827
Type: Neutral
Formula: C26H30N2
SMILES:   N(C(c1ccccc1)c1ccccc1)C1CCN(CC1)CCc1ccccc1
InChI:   InChI=1/C26H30N2/c1-4-10-22(11-5-1)16-19-28-20-17-25(18-21-28)27-26(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25-27H,16-21H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.54 g/mol  logS: -5.17292  SlogP: 5.16817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0850279  Sterimol/B1: 3.49758  Sterimol/B2: 4.48879  Sterimol/B3: 5.39906
  Sterimol/B4: 6.10237  Sterimol/L: 19.3367 
 
 Surface and Volume Properties
  Accessible surface: 699.512  Positive charged surface: 447.276  Negative charged surface: 252.236  Volume: 404.5
  Hydrophobic surface: 691.226  Hydrophilic surface: 8.2859999999999
 
 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


MMs00759828
CHEMBRIDGE-ZINC04022838