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PUBCHEM-ZINC02977189

 MMsINC code: MMs02971355
Type: Neutral
Formula: C23H24N2O6
SMILES:   O(CCOc1ccc(cc1OCC)C=C1C(=O)NC(=O)NC1=O)c1cc(ccc1C)C
InChI:   InChI=1/C23H24N2O6/c1-4-29-20-13-16(12-17-21(26)24-23(28)25-22(17)27)7-8-18(20)30-9-10-31-19-11-14(2)5-6-15(19)3/h5-8,11-13H,4,9-10H2,1-3H3,(H2,24,25,26,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.5079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.453 g/mol  logS: -5.71818  SlogP: 2.90934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610522  Sterimol/B1: 2.42881  Sterimol/B2: 2.48161  Sterimol/B3: 6.36227
  Sterimol/B4: 9.31345  Sterimol/L: 20.2185 
 
 Surface and Volume Properties
  Accessible surface: 740.208  Positive charged surface: 484.028  Negative charged surface: 256.181  Volume: 397.125
  Hydrophobic surface: 527.564  Hydrophilic surface: 212.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.