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PUBCHEM-ZINC01532062

 MMsINC code: MMs02813473
Type: Neutral
Formula: C16H18N4O7S
SMILES:   S(=O)(=O)(NC(=O)Nc1nc(OC)cc(OC)n1)Cc1ccccc1C(OC)=O
InChI:   InChI=1/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)

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Potential Energy
Epot(MMFF94)=-6.46639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.407 g/mol  logS: -4.02879  SlogP: 1.1983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316967  Sterimol/B1: 2.55443  Sterimol/B2: 2.74041  Sterimol/B3: 4.46491
  Sterimol/B4: 8.88811  Sterimol/L: 17.3407 
 
 Surface and Volume Properties
  Accessible surface: 648.484  Positive charged surface: 468.581  Negative charged surface: 179.903  Volume: 346
  Hydrophobic surface: 463.609  Hydrophilic surface: 184.875
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.