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NCID-ZINC01670328

 MMsINC code: MMs02306379
Type: Neutral
Formula: C20H26N2O
SMILES:   O=C(C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)CC
InChI:   InChI=1/C20H26N2O/c1-6-19(23)20(15-7-11-17(12-8-15)21(2)3)16-9-13-18(14-10-16)22(4)5/h7-14,20H,6H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.441 g/mol  logS: -3.45767  SlogP: 3.9296  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.151924  Sterimol/B1: 2.36542  Sterimol/B2: 2.74327  Sterimol/B3: 5.03618
  Sterimol/B4: 9.66467  Sterimol/L: 15.7279 
 
 Surface and Volume Properties
  Accessible surface: 606.162  Positive charged surface: 478.226  Negative charged surface: 127.936  Volume: 334.75
  Hydrophobic surface: 569.561  Hydrophilic surface: 36.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.