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ASINEX-ZINC04553243

 MMsINC code: MMs00351911
Type: Neutral
Formula: C17H25ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCC(CC2)C(=O)NCCCOCC)cc1
InChI:   InChI=1/C17H25ClN2O4S/c1-2-24-13-3-10-19-17(21)14-8-11-20(12-9-14)25(22,23)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=23.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.916 g/mol  logS: -3.18578  SlogP: 2.2835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070881  Sterimol/B1: 3.28667  Sterimol/B2: 4.74237  Sterimol/B3: 5.58345
  Sterimol/B4: 6.2101  Sterimol/L: 18.6308 
 
 Surface and Volume Properties
  Accessible surface: 659.247  Positive charged surface: 416.892  Negative charged surface: 242.355  Volume: 356.125
  Hydrophobic surface: 534.436  Hydrophilic surface: 124.811
 
 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.