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CHEMBRIDGE-ZINC01226249

 MMsINC code: MMs00690706
Type: Neutral
Formula: C26H30N2O
SMILES:   O(Cc1ccccc1)c1ccc(cc1)CN1CCN(CC1)c1cccc(C)c1C
InChI:   InChI=1/C26H30N2O/c1-21-7-6-10-26(22(21)2)28-17-15-27(16-18-28)19-23-11-13-25(14-12-23)29-20-24-8-4-3-5-9-24/h3-14H,15-20H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=174.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.539 g/mol  logS: -5.57959  SlogP: 5.73744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481852  Sterimol/B1: 2.91246  Sterimol/B2: 3.72792  Sterimol/B3: 4.86228
  Sterimol/B4: 6.43402  Sterimol/L: 21.9442 
 
 Surface and Volume Properties
  Accessible surface: 723.352  Positive charged surface: 474.121  Negative charged surface: 249.231  Volume: 410.625
  Hydrophobic surface: 698.183  Hydrophilic surface: 25.169
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00690707
CHEMBRIDGE-ZINC01226249