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PUBCHEM-ZINC04576688

 MMsINC code: MMs03136938
Type: Neutral
Formula: C13H15Cl3N2O2S2
SMILES:   ClC(Cl)(Cl)/C(=N/S(=O)(=O)c1ccc(cc1)C)/N=S1CCCC1
InChI:   InChI=1/C13H15Cl3N2O2S2/c1-10-4-6-11(7-5-10)22(19,20)18-12(13(14,15)16)17-21-8-2-3-9-21/h4-7H,2-3,8-9H2,1H3/b18-12-

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Potential Energy
Epot(MMFF94)=132.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.766 g/mol  logS: -6.3367  SlogP: 4.57312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0843599  Sterimol/B1: 3.30023  Sterimol/B2: 3.77841  Sterimol/B3: 4.06426
  Sterimol/B4: 6.33708  Sterimol/L: 15.7776 
 
 Surface and Volume Properties
  Accessible surface: 578.388  Positive charged surface: 267.745  Negative charged surface: 310.642  Volume: 314.5
  Hydrophobic surface: 377.886  Hydrophilic surface: 200.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.