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PUBCHEM-ZINC01290152

 MMsINC code: MMs02795163
Type: Neutral
Formula: C23H26N2O4
SMILES:   O=C1N(CC(C1)C(OCC(=O)Nc1ccc(cc1C)C)=O)C(C)c1ccccc1
InChI:   InChI=1/C23H26N2O4/c1-15-9-10-20(16(2)11-15)24-21(26)14-29-23(28)19-12-22(27)25(13-19)17(3)18-7-5-4-6-8-18/h4-11,17,19H,12-14H2,1-3H3,(H,24,26)/t17-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.1912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -4.57846  SlogP: 3.49034  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445434  Sterimol/B1: 2.56259  Sterimol/B2: 4.71353  Sterimol/B3: 5.13135
  Sterimol/B4: 6.39948  Sterimol/L: 19.5843 
 
 Surface and Volume Properties
  Accessible surface: 695.832  Positive charged surface: 433.549  Negative charged surface: 262.283  Volume: 388.75
  Hydrophobic surface: 590.785  Hydrophilic surface: 105.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.