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PUBCHEM-ZINC05066677

 MMsINC code: MMs03196600
Type: Neutral
Formula: C24H26N2O3
SMILES:   O1c2cc(ccc2OC1)CCN(Cc1ccccc1OCC)Cc1ccncc1
InChI:   InChI=1/C24H26N2O3/c1-2-27-22-6-4-3-5-21(22)17-26(16-20-9-12-25-13-10-20)14-11-19-7-8-23-24(15-19)29-18-28-23/h3-10,12-13,15H,2,11,14,16-18H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -3.92815  SlogP: 4.98667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19172  Sterimol/B1: 2.12746  Sterimol/B2: 2.63411  Sterimol/B3: 6.46074
  Sterimol/B4: 9.83789  Sterimol/L: 17.5483 
 
 Surface and Volume Properties
  Accessible surface: 673.408  Positive charged surface: 475.892  Negative charged surface: 197.516  Volume: 393.75
  Hydrophobic surface: 571.127  Hydrophilic surface: 102.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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


MMs03196601
PUBCHEM-ZINC05066677