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APOLLO-ZINC02380498

 MMsINC code: MMs00051578
Type: Neutral
Formula: C7H9ClN2O2S
SMILES:   ClCCOC(=O)Nc1scc(n1)C
InChI:   InChI=1/C7H9ClN2O2S/c1-5-4-13-6(9-5)10-7(11)12-3-2-8/h4H,2-3H2,1H3,(H,9,10,11)

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Potential Energy
Epot(MMFF94)=8.54025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.68 g/mol  logS: -2.21383  SlogP: 2.23882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0206071  Sterimol/B1: 2.45211  Sterimol/B2: 2.76848  Sterimol/B3: 3.4375
  Sterimol/B4: 4.43611  Sterimol/L: 14.1464 
 
 Surface and Volume Properties
  Accessible surface: 425.107  Positive charged surface: 236.165  Negative charged surface: 188.941  Volume: 182.625
  Hydrophobic surface: 263.052  Hydrophilic surface: 162.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.