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IBS-ZINC02236085

 MMsINC code: MMs01811759
Type: Neutral
Formula: C14H11Cl2NOS2
SMILES:   ClC1(Cl)CC1CSC=1S\C(=C/c2ccccc2)\C(=O)N=1
InChI:   InChI=1/C14H11Cl2NOS2/c15-14(16)7-10(14)8-19-13-17-12(18)11(20-13)6-9-4-2-1-3-5-9/h1-6,10H,7-8H2/b11-6-/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=72.1634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.286 g/mol  logS: -6.40551  SlogP: 5.0038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0233597  Sterimol/B1: 2.81721  Sterimol/B2: 2.93284  Sterimol/B3: 3.98866
  Sterimol/B4: 6.10695  Sterimol/L: 17.5801 
 
 Surface and Volume Properties
  Accessible surface: 553.568  Positive charged surface: 207.043  Negative charged surface: 346.525  Volume: 287.5
  Hydrophobic surface: 279.274  Hydrophilic surface: 274.294
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.