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PUBCHEM-ZINC06930707

 MMsINC code: MMs03905415
Type: Neutral
Formula: C15H19ClN2O5S2
SMILES:   Clc1c(scc1S(=O)(=O)C)C(=O)N1CCC(N2C(COC2=O)C)CC1
InChI:   InChI=1/C15H19ClN2O5S2/c1-9-7-23-15(20)18(9)10-3-5-17(6-4-10)14(19)13-12(16)11(8-24-13)25(2,21)22/h8-10H,3-7H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=54.2983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.911 g/mol  logS: -3.2785  SlogP: 2.2503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796187  Sterimol/B1: 3.77388  Sterimol/B2: 4.15632  Sterimol/B3: 4.23863
  Sterimol/B4: 4.7564  Sterimol/L: 17.1888 
 
 Surface and Volume Properties
  Accessible surface: 584.845  Positive charged surface: 313.946  Negative charged surface: 270.9  Volume: 331.375
  Hydrophobic surface: 419.322  Hydrophilic surface: 165.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.