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APOLLO-ZINC00159978

 MMsINC code: MMs00045622
Type: Neutral
Formula: C7H7ClN2O2S
SMILES:   ClCC(=O)Nc1sccc1C(=O)N
InChI:   InChI=1/C7H7ClN2O2S/c8-3-5(11)10-7-4(6(9)12)1-2-13-7/h1-2H,3H2,(H2,9,12)(H,10,11)

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Potential Energy
Epot(MMFF94)=33.1412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.664 g/mol  logS: -2.56938  SlogP: 1.0243  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0113762  Sterimol/B1: 2.375  Sterimol/B2: 2.37511  Sterimol/B3: 3.61621
  Sterimol/B4: 5.13164  Sterimol/L: 12.0102 
 
 Surface and Volume Properties
  Accessible surface: 383.764  Positive charged surface: 175.41  Negative charged surface: 208.354  Volume: 174.125
  Hydrophobic surface: 177.941  Hydrophilic surface: 205.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.