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ASINEX-ZINC00133697

 MMsINC code: MMs00080698
Type: Neutral
Formula: C11H11Cl2NO4S
SMILES:   Clc1cc(S(=O)(=O)N2CCCC2C(O)=O)ccc1Cl
InChI:   InChI=1/C11H11Cl2NO4S/c12-8-4-3-7(6-9(8)13)19(17,18)14-5-1-2-10(14)11(15)16/h3-4,6,10H,1-2,5H2,(H,15,16)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=40.3315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.184 g/mol  logS: -3.31524  SlogP: 2.2311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172207  Sterimol/B1: 2.72937  Sterimol/B2: 3.57424  Sterimol/B3: 4.54026
  Sterimol/B4: 5.67143  Sterimol/L: 12.9996 
 
 Surface and Volume Properties
  Accessible surface: 477.586  Positive charged surface: 214.281  Negative charged surface: 263.305  Volume: 249.625
  Hydrophobic surface: 350.518  Hydrophilic surface: 127.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00080699
ASINEX-ZINC00133697