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ASINEX-ZINC00816470

 MMsINC code: MMs00179000
Type: Neutral
Formula: C14H17ClN2O4S
SMILES:   Clc1cc(OC)c(S(=O)(=O)n2ccnc2C(C)C)cc1OC
InChI:   InChI=1/C14H17ClN2O4S/c1-9(2)14-16-5-6-17(14)22(18,19)13-8-11(20-3)10(15)7-12(13)21-4/h5-9H,1-4H3

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Potential Energy
Epot(MMFF94)=78.9134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.819 g/mol  logS: -3.16094  SlogP: 2.9141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.245873  Sterimol/B1: 2.12948  Sterimol/B2: 3.71821  Sterimol/B3: 6.38005
  Sterimol/B4: 7.82866  Sterimol/L: 12.6799 
 
 Surface and Volume Properties
  Accessible surface: 523.104  Positive charged surface: 329.759  Negative charged surface: 193.345  Volume: 295.875
  Hydrophobic surface: 407.039  Hydrophilic surface: 116.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.