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CHEMSTAR-ZINC01511079

 MMsINC code: MMs01078784
Type: Neutral
Formula: C24H22N2O6
SMILES:   O1CCOc2c1cc1c([nH]c(C(OCC)=O)c1CCCN1C(=O)c3c(cccc3)C1=O)c2
InChI:   InChI=1/C24H22N2O6/c1-2-30-24(29)21-14(17-12-19-20(13-18(17)25-21)32-11-10-31-19)8-5-9-26-22(27)15-6-3-4-7-16(15)23(26)28/h3-4,6-7,12-13,25H,2,5,8-11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.448 g/mol  logS: -5.36723  SlogP: 3.34457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821447  Sterimol/B1: 2.39124  Sterimol/B2: 2.65789  Sterimol/B3: 4.95968
  Sterimol/B4: 13.4101  Sterimol/L: 17.5839 
 
 Surface and Volume Properties
  Accessible surface: 721.602  Positive charged surface: 481.592  Negative charged surface: 235.719  Volume: 398.125
  Hydrophobic surface: 550.005  Hydrophilic surface: 171.597
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.