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APOLLO-ZINC02380493

 MMsINC code: MMs00051575
Type: Neutral
Formula: C10H12ClNO4S
SMILES:   ClCCOC(=O)Nc1scc(C)c1C(OC)=O
InChI:   InChI=1/C10H12ClNO4S/c1-6-5-17-8(7(6)9(13)15-2)12-10(14)16-4-3-11/h5H,3-4H2,1-2H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=39.5526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.728 g/mol  logS: -2.93628  SlogP: 2.63042  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0337847  Sterimol/B1: 2.91804  Sterimol/B2: 3.55798  Sterimol/B3: 3.81432
  Sterimol/B4: 6.47566  Sterimol/L: 14.0518 
 
 Surface and Volume Properties
  Accessible surface: 493.951  Positive charged surface: 282.784  Negative charged surface: 211.167  Volume: 232.75
  Hydrophobic surface: 340.096  Hydrophilic surface: 153.855
 
 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.