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NCID-ZINC01655608

 MMsINC code: MMs02294188
Type: Neutral
Formula: C14H15N3O5S
SMILES:   S(=O)(=O)(Nc1nc(OC)nc(OC)c1)c1ccc(cc1)C(=O)C
InChI:   InChI=1/C14H15N3O5S/c1-9(18)10-4-6-11(7-5-10)23(19,20)17-12-8-13(21-2)16-14(15-12)22-3/h4-8H,1-3H3,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=6.8023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.356 g/mol  logS: -3.58687  SlogP: 1.4972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125877  Sterimol/B1: 2.44167  Sterimol/B2: 3.06479  Sterimol/B3: 4.93621
  Sterimol/B4: 8.49693  Sterimol/L: 14.6277 
 
 Surface and Volume Properties
  Accessible surface: 550.218  Positive charged surface: 349.16  Negative charged surface: 201.057  Volume: 287.75
  Hydrophobic surface: 379.622  Hydrophilic surface: 170.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.