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ASINEX-ZINC02892022

 MMsINC code: MMs00280206
Type: Neutral
Formula: C17H25ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(CC(=O)NCCCO)C2CCCCC2)cc1
InChI:   InChI=1/C17H25ClN2O4S/c18-14-7-9-16(10-8-14)25(23,24)20(15-5-2-1-3-6-15)13-17(22)19-11-4-12-21/h7-10,15,21H,1-6,11-13H2,(H,19,22)

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Potential Energy
Epot(MMFF94)=49.2183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.916 g/mol  logS: -3.67567  SlogP: 2.162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823775  Sterimol/B1: 3.63917  Sterimol/B2: 4.33785  Sterimol/B3: 4.78733
  Sterimol/B4: 7.61597  Sterimol/L: 18.3109 
 
 Surface and Volume Properties
  Accessible surface: 631.03  Positive charged surface: 389.684  Negative charged surface: 241.346  Volume: 351.75
  Hydrophobic surface: 494.283  Hydrophilic surface: 136.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.