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PUBCHEM-ZINC04673358

 MMsINC code: MMs03151903
Type: Neutral
Formula: C23H30N2O3
SMILES:   O(CCOc1ccc(cc1)CCCCCC)c1cc(ccc1)\C=N\NC(=O)C
InChI:   InChI=1/C23H30N2O3/c1-3-4-5-6-8-20-11-13-22(14-12-20)27-15-16-28-23-10-7-9-21(17-23)18-24-25-19(2)26/h7,9-14,17-18H,3-6,8,15-16H2,1-2H3,(H,25,26)/b24-18+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.0088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.504 g/mol  logS: -6.72273  SlogP: 4.73717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152452  Sterimol/B1: 2.54848  Sterimol/B2: 4.66842  Sterimol/B3: 4.93533
  Sterimol/B4: 5.02339  Sterimol/L: 27.6113 
 
 Surface and Volume Properties
  Accessible surface: 788.742  Positive charged surface: 534.183  Negative charged surface: 254.56  Volume: 400.375
  Hydrophobic surface: 664.661  Hydrophilic surface: 124.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.