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PUBCHEM-ZINC02243725

 MMsINC code: MMs02884564
Type: Neutral
Formula: C15H19N5O7S
SMILES:   S(=O)(=O)(NC(=O)Nc1nc(OC)nc(OC)n1)c1ccccc1OCCOC
InChI:   InChI=1/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)

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Potential Energy
Epot(MMFF94)=-45.5237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.411 g/mol  logS: -4.63946  SlogP: 0.4244  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097006  Sterimol/B1: 2.03374  Sterimol/B2: 4.3069  Sterimol/B3: 4.58314
  Sterimol/B4: 9.63879  Sterimol/L: 16.2946 
 
 Surface and Volume Properties
  Accessible surface: 668.003  Positive charged surface: 489.99  Negative charged surface: 178.013  Volume: 345.75
  Hydrophobic surface: 458.781  Hydrophilic surface: 209.222
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.