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CHEMDIV-ZINC06745034

 MMsINC code: MMs01008812
Type: Neutral
Formula: C22H26N2O2
SMILES:   O=C(Nc1cc(C)c(cc1)C)C(=O)NCC1(CCCC1)c1ccccc1
InChI:   InChI=1/C22H26N2O2/c1-16-10-11-19(14-17(16)2)24-21(26)20(25)23-15-22(12-6-7-13-22)18-8-4-3-5-9-18/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.843 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.462 g/mol  logS: -5.86869  SlogP: 3.87014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575991  Sterimol/B1: 3.34168  Sterimol/B2: 4.33962  Sterimol/B3: 4.72713
  Sterimol/B4: 6.11667  Sterimol/L: 17.4931 
 
 Surface and Volume Properties
  Accessible surface: 640.569  Positive charged surface: 394.716  Negative charged surface: 245.852  Volume: 358.25
  Hydrophobic surface: 558.688  Hydrophilic surface: 81.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.