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ASINEX-ZINC01223538

 MMsINC code: MMs00232342
Type: Neutral
Formula: C24H25N5O4S
SMILES:   S(=O)(=O)(N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1)c1cc(C)c(-n2nnnc2)cc
1
InChI:   InChI=1/C24H25N5O4S/c1-18-14-23(12-13-24(18)29-17-25-26-27-29)34(30,31)28(15-19-4-8-21(32-2)9-5-19)16-20-6-10-22(33-3)11-7-20/h4-14,17H,15-16H2,1-3H3

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Potential Energy
Epot(MMFF94)=117.519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.561 g/mol  logS: -4.76392  SlogP: 3.91182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0844177  Sterimol/B1: 2.86096  Sterimol/B2: 4.17659  Sterimol/B3: 5.94127
  Sterimol/B4: 6.51782  Sterimol/L: 19.1062 
 
 Surface and Volume Properties
  Accessible surface: 699.074  Positive charged surface: 411.651  Negative charged surface: 254.998  Volume: 440.625
  Hydrophobic surface: 578.172  Hydrophilic surface: 120.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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.