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ASINEX-ZINC01013803

 MMsINC code: MMs00227750
Type: Neutral
Formula: C12H10Cl3N3OS
SMILES:   ClC(Cl)(Cl)C(Nc1sccn1)NC(=O)c1ccccc1
InChI:   InChI=1/C12H10Cl3N3OS/c13-12(14,15)10(18-11-16-6-7-20-11)17-9(19)8-4-2-1-3-5-8/h1-7,10H,(H,16,18)(H,17,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=52.439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.657 g/mol  logS: -4.88167  SlogP: 4.1012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105539  Sterimol/B1: 2.80336  Sterimol/B2: 4.02115  Sterimol/B3: 4.51879
  Sterimol/B4: 6.50884  Sterimol/L: 13.8524 
 
 Surface and Volume Properties
  Accessible surface: 529.207  Positive charged surface: 197.799  Negative charged surface: 331.408  Volume: 278.25
  Hydrophobic surface: 315.163  Hydrophilic surface: 214.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.