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NCID-ZINC01607346

 MMsINC code: MMs02259152
Type: Neutral
Formula: C12H12N2O2S
SMILES:   S(CC1=CNC(=O)NC1=O)Cc1ccccc1
InChI:   InChI=1/C12H12N2O2S/c15-11-10(6-13-12(16)14-11)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,13,14,15,16)

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Potential Energy
Epot(MMFF94)=4.68566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.306 g/mol  logS: -3.18242  SlogP: 1.9095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758479  Sterimol/B1: 2.35252  Sterimol/B2: 3.68373  Sterimol/B3: 3.89141
  Sterimol/B4: 4.50705  Sterimol/L: 15.2216 
 
 Surface and Volume Properties
  Accessible surface: 466.085  Positive charged surface: 261.829  Negative charged surface: 204.257  Volume: 223.5
  Hydrophobic surface: 280.066  Hydrophilic surface: 186.019
 
 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.