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ASINEX-ZINC04739377

 MMsINC code: MMs00368712
Type: Neutral
Formula: C16H10Cl2N2O2S
SMILES:   Clc1cc(Cl)ccc1-c1oc(cc1)\C=N\NC(=O)c1sccc1
InChI:   InChI=1/C16H10Cl2N2O2S/c17-10-3-5-12(13(18)8-10)14-6-4-11(22-14)9-19-20-16(21)15-2-1-7-23-15/h1-9H,(H,20,21)/b19-9+

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Potential Energy
Epot(MMFF94)=78.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.24 g/mol  logS: -6.96015  SlogP: 5.0788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0189002  Sterimol/B1: 3.25441  Sterimol/B2: 3.63265  Sterimol/B3: 3.68422
  Sterimol/B4: 6.48265  Sterimol/L: 19.3526 
 
 Surface and Volume Properties
  Accessible surface: 599.769  Positive charged surface: 237.934  Negative charged surface: 361.836  Volume: 304.25
  Hydrophobic surface: 506.963  Hydrophilic surface: 92.806
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.