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ENAMINE-ZINC03193479

 MMsINC code: MMs01302072
Type: Neutral
Formula: C10H12Cl2N2O3S
SMILES:   ClC(Cl)(C(=O)Nc1scc(n1)CC(OCC)=O)C
InChI:   InChI=1/C10H12Cl2N2O3S/c1-3-17-7(15)4-6-5-18-9(13-6)14-8(16)10(2,11)12/h5H,3-4H2,1-2H3,(H,13,14,16)

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Potential Energy
Epot(MMFF94)=49.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.189 g/mol  logS: -3.8954  SlogP: 2.80087  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0294586  Sterimol/B1: 3.25892  Sterimol/B2: 3.41316  Sterimol/B3: 3.59474
  Sterimol/B4: 6.09854  Sterimol/L: 16.4758 
 
 Surface and Volume Properties
  Accessible surface: 523.965  Positive charged surface: 263.112  Negative charged surface: 260.853  Volume: 249.75
  Hydrophobic surface: 280.59  Hydrophilic surface: 243.375
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.