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ENAMINE-ZINC03163787

 MMsINC code: MMs01291842
Type: Neutral
Formula: C8H10N2O3S
SMILES:   S(=O)(=O)(NC(=O)CN)c1ccccc1
InChI:   InChI=1/C8H10N2O3S/c9-6-8(11)10-14(12,13)7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)

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Potential Energy
Epot(MMFF94)=12.6899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.245 g/mol  logS: -1.50142  SlogP: -0.5498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14904  Sterimol/B1: 2.78136  Sterimol/B2: 2.92453  Sterimol/B3: 4.689
  Sterimol/B4: 5.8535  Sterimol/L: 11.3092 
 
 Surface and Volume Properties
  Accessible surface: 395.76  Positive charged surface: 222.766  Negative charged surface: 172.995  Volume: 180.875
  Hydrophobic surface: 225.569  Hydrophilic surface: 170.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.