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PUBCHEM-ZINC01533114

 MMsINC code: MMs02813804
Type: Neutral
Formula: C24H26N2O2
SMILES:   OC(=O)c1cc2c([nH]cc2CCCCN2CCC(=CC2)c2ccccc2)cc1
InChI:   InChI=1/C24H26N2O2/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.8026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.484 g/mol  logS: -4.29471  SlogP: 4.97807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330999  Sterimol/B1: 2.45942  Sterimol/B2: 4.61998  Sterimol/B3: 5.36528
  Sterimol/B4: 5.96148  Sterimol/L: 20.9323 
 
 Surface and Volume Properties
  Accessible surface: 698.298  Positive charged surface: 459.475  Negative charged surface: 234.211  Volume: 379.75
  Hydrophobic surface: 536.633  Hydrophilic surface: 161.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.