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CHEMDIV-ZINC01092812

 MMsINC code: MMs00862589
Type: Neutral
Formula: C24H23N5O5S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(C(=O)N)c(Oc2ccc(cc2-n2nc3c(n2)cccc3)
C)cc1
InChI:   InChI=1/C24H23N5O5S/c1-16-6-8-23(21(14-16)29-26-19-4-2-3-5-20(19)27-29)34-22-9-7-17(15-18(22)24(25)30)35(31,32)28-10-12-33-13-11-28/h2-9,14-15H,10-13H2,1H3,(H2,25,30)

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Potential Energy
Epot(MMFF94)=137.297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.544 g/mol  logS: -5.58832  SlogP: 2.64102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133413  Sterimol/B1: 2.28449  Sterimol/B2: 3.98022  Sterimol/B3: 5.62846
  Sterimol/B4: 11.548  Sterimol/L: 16.4442 
 
 Surface and Volume Properties
  Accessible surface: 729.633  Positive charged surface: 454.227  Negative charged surface: 275.406  Volume: 432.875
  Hydrophobic surface: 544.884  Hydrophilic surface: 184.749
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.