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MAYBRIDGE-ZINC00080623

 MMsINC code: MMs02128834
Type: Neutral
Formula: C8H10N2O2S
SMILES:   s1cc(C)c(C(=O)N)c1NC(=O)C
InChI:   InChI=1/C8H10N2O2S/c1-4-3-13-8(10-5(2)11)6(4)7(9)12/h3H,1-2H3,(H2,9,12)(H,10,11)

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Potential Energy
Epot(MMFF94)=33.6897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.246 g/mol  logS: -1.97193  SlogP: 1.11382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551991  Sterimol/B1: 2.98554  Sterimol/B2: 3.15501  Sterimol/B3: 4.0628
  Sterimol/B4: 4.99063  Sterimol/L: 11.6559 
 
 Surface and Volume Properties
  Accessible surface: 388.021  Positive charged surface: 213.441  Negative charged surface: 174.579  Volume: 176.25
  Hydrophobic surface: 247.052  Hydrophilic surface: 140.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.