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PUBCHEM-ZINC05293432

 MMsINC code: MMs03234199
Type: Neutral
Formula: C26H38N2O2
SMILES:   Oc1c(cccc1CN1CCN(CC1)Cc1cccc(C(C)(C)C)c1O)C(C)(C)C
InChI:   InChI=1/C26H38N2O2/c1-25(2,3)21-11-7-9-19(23(21)29)17-27-13-15-28(16-14-27)18-20-10-8-12-22(24(20)30)26(4,5)6/h7-12,29-30H,13-18H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.602 g/mol  logS: -5.75932  SlogP: 5.5434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857372  Sterimol/B1: 2.84662  Sterimol/B2: 3.81504  Sterimol/B3: 4.89819
  Sterimol/B4: 6.64042  Sterimol/L: 19.1381 
 
 Surface and Volume Properties
  Accessible surface: 721.697  Positive charged surface: 523.002  Negative charged surface: 198.695  Volume: 437.625
  Hydrophobic surface: 569.334  Hydrophilic surface: 152.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03234200
PUBCHEM-ZINC05293432