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ASINEX-ZINC00134110

 MMsINC code: MMs00080762
Type: Neutral
Formula: C12H11ClN2OS
SMILES:   Clc1cc(ccc1)Cc1sc(nc1)NC(=O)C
InChI:   InChI=1/C12H11ClN2OS/c1-8(16)15-12-14-7-11(17-12)6-9-3-2-4-10(13)5-9/h2-5,7H,6H2,1H3,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=35.8926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.752 g/mol  logS: -3.75584  SlogP: 3.34567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105596  Sterimol/B1: 3.69373  Sterimol/B2: 3.98187  Sterimol/B3: 4.42932
  Sterimol/B4: 4.74331  Sterimol/L: 14.3597 
 
 Surface and Volume Properties
  Accessible surface: 476.45  Positive charged surface: 247.634  Negative charged surface: 228.816  Volume: 235.125
  Hydrophobic surface: 401.505  Hydrophilic surface: 74.945
 
 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.