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CHEMDIV-ZINC05005955

 MMsINC code: MMs00978155
Type: Neutral
Formula: C23H24N2O4
SMILES:   O=C1N(Cc2c1c(ccc2)C(=O)Nc1ccccc1C(OC)=O)C1CCCCC1
InChI:   InChI=1/C23H24N2O4/c1-29-23(28)17-11-5-6-13-19(17)24-21(26)18-12-7-8-15-14-25(22(27)20(15)18)16-9-3-2-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.93 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -5.37028  SlogP: 4.2804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703503  Sterimol/B1: 2.47543  Sterimol/B2: 5.09277  Sterimol/B3: 5.24063
  Sterimol/B4: 7.1571  Sterimol/L: 17.4577 
 
 Surface and Volume Properties
  Accessible surface: 664.703  Positive charged surface: 476.003  Negative charged surface: 188.7  Volume: 374.75
  Hydrophobic surface: 592.979  Hydrophilic surface: 71.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.