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PUBCHEM-ZINC03687659

 MMsINC code: MMs03042188
Type: Neutral
Formula: C24H26N2O2
SMILES:   O(C)c1ccc(OC)cc1-c1[nH]c2c(ccc3c2cccc3)c1CCCCN
InChI:   InChI=1/C24H26N2O2/c1-27-17-11-13-22(28-2)21(15-17)24-19(9-5-6-14-25)20-12-10-16-7-3-4-8-18(16)23(20)26-24/h3-4,7-8,10-13,15,26H,5-6,9,14,25H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.7004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -6.17853  SlogP: 5.28667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193991  Sterimol/B1: 2.35463  Sterimol/B2: 2.48152  Sterimol/B3: 8.17686
  Sterimol/B4: 10.5338  Sterimol/L: 16.1372 
 
 Surface and Volume Properties
  Accessible surface: 682.268  Positive charged surface: 485.698  Negative charged surface: 179.493  Volume: 381.625
  Hydrophobic surface: 586.77  Hydrophilic surface: 95.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03042189
PUBCHEM-ZINC03687659