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PUBCHEM-ZINC03762353

 MMsINC code: MMs03073961
Type: Neutral
Formula: C24H26N2O4
SMILES:   O(C)c1cc(ccc1OC)C(N1CCC(CC1)C(O)=O)c1c2c(ncc1)cccc2
InChI:   InChI=1/C24H26N2O4/c1-29-21-8-7-17(15-22(21)30-2)23(26-13-10-16(11-14-26)24(27)28)19-9-12-25-20-6-4-3-5-18(19)20/h3-9,12,15-16,23H,10-11,13-14H2,1-2H3,(H,27,28)/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.482 g/mol  logS: -4.01823  SlogP: 4.2335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261926  Sterimol/B1: 2.36032  Sterimol/B2: 3.01381  Sterimol/B3: 6.73347
  Sterimol/B4: 11.41  Sterimol/L: 14.5133 
 
 Surface and Volume Properties
  Accessible surface: 656.044  Positive charged surface: 484.85  Negative charged surface: 168.274  Volume: 392.5
  Hydrophobic surface: 525.983  Hydrophilic surface: 130.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.