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CHEMDIV-ZINC03038520

 MMsINC code: MMs00906489
Type: Neutral
Formula: C26H32N2O2
SMILES:   O=C1N(CC(=O)N(CCc2ccccc2)C1c1ccc(cc1)C)C1CCC(CC1)C
InChI:   InChI=1/C26H32N2O2/c1-19-8-12-22(13-9-19)25-26(30)28(23-14-10-20(2)11-15-23)18-24(29)27(25)17-16-21-6-4-3-5-7-21/h3-9,12-13,20,23,25H,10-11,14-18H2,1-2H3/t20-,23-,25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.554 g/mol  logS: -5.93009  SlogP: 4.62379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099167  Sterimol/B1: 1.97266  Sterimol/B2: 4.05077  Sterimol/B3: 4.19199
  Sterimol/B4: 10.7353  Sterimol/L: 18.885 
 
 Surface and Volume Properties
  Accessible surface: 711.063  Positive charged surface: 464.718  Negative charged surface: 246.345  Volume: 417.875
  Hydrophobic surface: 644.313  Hydrophilic surface: 66.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.