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PUBCHEM-ZINC02929604

 MMsINC code: MMs02961353
Type: Neutral
Formula: C24H26N2O2
SMILES:   O=C(C)c1cc(n(CCC(=O)NC(C)c2ccccc2)c1C)-c1ccccc1
InChI:   InChI=1/C24H26N2O2/c1-17(20-10-6-4-7-11-20)25-24(28)14-15-26-18(2)22(19(3)27)16-23(26)21-12-8-5-9-13-21/h4-13,16-17H,14-15H2,1-3H3,(H,25,28)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.9341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -4.89255  SlogP: 5.29552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0672169  Sterimol/B1: 2.54192  Sterimol/B2: 2.68666  Sterimol/B3: 5.69937
  Sterimol/B4: 10.1001  Sterimol/L: 17.9765 
 
 Surface and Volume Properties
  Accessible surface: 672.446  Positive charged surface: 376.822  Negative charged surface: 295.625  Volume: 388.375
  Hydrophobic surface: 578.354  Hydrophilic surface: 94.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.