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NCID-ZINC01757746

 MMsINC code: MMs02365548
Type: Neutral
Formula: C7H13Cl2NO2S2
SMILES:   ClC(Cl)C(=O)NC(CO)CSCSC
InChI:   InChI=1/C7H13Cl2NO2S2/c1-13-4-14-3-5(2-11)10-7(12)6(8)9/h5-6,11H,2-4H2,1H3,(H,10,12)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=43.5862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.224 g/mol  logS: -2.66112  SlogP: 1.7408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130124  Sterimol/B1: 2.53237  Sterimol/B2: 4.53222  Sterimol/B3: 4.62433
  Sterimol/B4: 5.31827  Sterimol/L: 13.3875 
 
 Surface and Volume Properties
  Accessible surface: 472.491  Positive charged surface: 238.885  Negative charged surface: 233.606  Volume: 228.5
  Hydrophobic surface: 205.86  Hydrophilic surface: 266.631
 
 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.