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PUBCHEM-ZINC05626203

 MMsINC code: MMs03328622
Type: Neutral
Formula: C10H7Cl2N3OS
SMILES:   Clc1cccc(Cl)c1CSC1=NC(=O)C=NN1
InChI:   InChI=1/C10H7Cl2N3OS/c11-7-2-1-3-8(12)6(7)5-17-10-14-9(16)4-13-15-10/h1-4H,5H2,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=45.0403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.158 g/mol  logS: -4.91759  SlogP: 2.9646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0764991  Sterimol/B1: 3.65959  Sterimol/B2: 4.17907  Sterimol/B3: 4.74529
  Sterimol/B4: 4.74541  Sterimol/L: 14.4467 
 
 Surface and Volume Properties
  Accessible surface: 454.764  Positive charged surface: 191.451  Negative charged surface: 263.313  Volume: 227.875
  Hydrophobic surface: 273.689  Hydrophilic surface: 181.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.