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ASINEX-ZINC04973649

 MMsINC code: MMs00419126
Type: Neutral
Formula: C15H17ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NCc2cccnc2)cc1OCCC
InChI:   InChI=1/C15H17ClN2O3S/c1-2-8-21-15-9-13(5-6-14(15)16)22(19,20)18-11-12-4-3-7-17-10-12/h3-7,9-10,18H,2,8,11H2,1H3

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Potential Energy
Epot(MMFF94)=31.4618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.831 g/mol  logS: -3.04627  SlogP: 3.2687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0954314  Sterimol/B1: 2.16403  Sterimol/B2: 4.17812  Sterimol/B3: 4.9765
  Sterimol/B4: 8.15597  Sterimol/L: 15.9215 
 
 Surface and Volume Properties
  Accessible surface: 590.937  Positive charged surface: 344.715  Negative charged surface: 246.222  Volume: 299.875
  Hydrophobic surface: 462.898  Hydrophilic surface: 128.039
 
 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.