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ENAMINE-ZINC03264740

 MMsINC code: MMs01338938
Type: Neutral
Formula: C14H12Cl2O2S4
SMILES:   Clc1sc(cc1)C(=O)CSCCSCC(=O)c1sc(Cl)cc1
InChI:   InChI=1/C14H12Cl2O2S4/c15-13-3-1-11(21-13)9(17)7-19-5-6-20-8-10(18)12-2-4-14(16)22-12/h1-4H,5-8H2

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Potential Energy
Epot(MMFF94)=69.8965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.418 g/mol  logS: -7.47724  SlogP: 5.6484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00552232  Sterimol/B1: 2.37457  Sterimol/B2: 2.37639  Sterimol/B3: 3.35232
  Sterimol/B4: 5.36391  Sterimol/L: 22.7173 
 
 Surface and Volume Properties
  Accessible surface: 643.728  Positive charged surface: 237.013  Negative charged surface: 406.715  Volume: 329.125
  Hydrophobic surface: 516.069  Hydrophilic surface: 127.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.