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CHEMBLOCK-ZINC00544200

 MMsINC code: MMs00505342
Type: Neutral
Formula: C11H12N2O2S
SMILES:   S(CC(=O)N1CCNC1=O)c1ccccc1
InChI:   InChI=1/C11H12N2O2S/c14-10(13-7-6-12-11(13)15)8-16-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)

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Potential Energy
Epot(MMFF94)=26.7321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.295 g/mol  logS: -2.85023  SlogP: 1.3305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0124864  Sterimol/B1: 2.38012  Sterimol/B2: 2.38256  Sterimol/B3: 3.17825
  Sterimol/B4: 4.91206  Sterimol/L: 14.4753 
 
 Surface and Volume Properties
  Accessible surface: 440.765  Positive charged surface: 272.546  Negative charged surface: 168.219  Volume: 214.125
  Hydrophobic surface: 304.839  Hydrophilic surface: 135.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.