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ENAMINE-ZINC03395324

 MMsINC code: MMs01416539
Type: Neutral
Formula: C13H15ClN2O5S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(OCC(=O)N)=O
InChI:   InChI=1/C13H15ClN2O5S/c14-10-4-3-9(13(18)21-8-12(15)17)7-11(10)22(19,20)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8H2,(H2,15,17)

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Potential Energy
Epot(MMFF94)=46.1713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.791 g/mol  logS: -3.2454  SlogP: 0.7666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712419  Sterimol/B1: 3.1883  Sterimol/B2: 3.37746  Sterimol/B3: 4.55763
  Sterimol/B4: 5.47347  Sterimol/L: 16.9782 
 
 Surface and Volume Properties
  Accessible surface: 541.831  Positive charged surface: 317.597  Negative charged surface: 224.234  Volume: 283.875
  Hydrophobic surface: 335.138  Hydrophilic surface: 206.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.