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PUBCHEM-ZINC06093144

 MMsINC code: MMs03539353
Type: Neutral
Formula: C13H15ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NC2CCCC=C2)cc1
InChI:   InChI=1/C13H15ClN2O3S/c14-10-6-8-12(9-7-10)20(18,19)16-13(17)15-11-4-2-1-3-5-11/h2,4,6-9,11H,1,3,5H2,(H2,15,16,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=-33.443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.793 g/mol  logS: -3.63914  SlogP: 2.4366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102359  Sterimol/B1: 2.46869  Sterimol/B2: 4.38505  Sterimol/B3: 4.51749
  Sterimol/B4: 5.67366  Sterimol/L: 14.8582 
 
 Surface and Volume Properties
  Accessible surface: 520.405  Positive charged surface: 272.446  Negative charged surface: 247.959  Volume: 266.875
  Hydrophobic surface: 377.829  Hydrophilic surface: 142.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.