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ENAMINE-ZINC01465611

 MMsINC code: MMs01241111
Type: Neutral
Formula: C11H12ClNO5S
SMILES:   ClCC(=O)Nc1sc(C(OC)=O)c(C)c1C(OC)=O
InChI:   InChI=1/C11H12ClNO5S/c1-5-7(10(15)17-2)9(13-6(14)4-12)19-8(5)11(16)18-3/h4H2,1-3H3,(H,13,14)

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Potential Energy
Epot(MMFF94)=75.8765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.738 g/mol  logS: -3.39411  SlogP: 1.80702  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0352082  Sterimol/B1: 2.93868  Sterimol/B2: 3.17588  Sterimol/B3: 3.23426
  Sterimol/B4: 9.39622  Sterimol/L: 12.8377 
 
 Surface and Volume Properties
  Accessible surface: 517.153  Positive charged surface: 311.927  Negative charged surface: 205.226  Volume: 251.625
  Hydrophobic surface: 341.961  Hydrophilic surface: 175.192
 
 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.