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ENAMINE-ZINC06077332

 MMsINC code: MMs01652646
Type: Neutral
Formula: C15H19ClN2O6S
SMILES:   Clc1ccc(S(=O)(=O)NC(C(OCC(=O)N2CCOCC2)=O)C)cc1
InChI:   InChI=1/C15H19ClN2O6S/c1-11(17-25(21,22)13-4-2-12(16)3-5-13)15(20)24-10-14(19)18-6-8-23-9-7-18/h2-5,11,17H,6-10H2,1H3/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=57.5678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.844 g/mol  logS: -3.05059  SlogP: 0.4088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950014  Sterimol/B1: 2.16928  Sterimol/B2: 3.13004  Sterimol/B3: 4.79542
  Sterimol/B4: 9.46103  Sterimol/L: 15.8835 
 
 Surface and Volume Properties
  Accessible surface: 616.249  Positive charged surface: 354.582  Negative charged surface: 261.667  Volume: 327.25
  Hydrophobic surface: 445.872  Hydrophilic surface: 170.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.