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ASINEX-ZINC04374986

 MMsINC code: MMs00328046
Type: Neutral
Formula: C16H23ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NCCCOCC)cc1
InChI:   InChI=1/C16H23ClN2O4S/c1-2-23-12-4-10-18-16(20)15-5-3-11-19(15)24(21,22)14-8-6-13(17)7-9-14/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=50.8269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.889 g/mol  logS: -3.4293  SlogP: 2.0359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558721  Sterimol/B1: 2.86012  Sterimol/B2: 4.92903  Sterimol/B3: 5.80372
  Sterimol/B4: 6.77459  Sterimol/L: 18.2602 
 
 Surface and Volume Properties
  Accessible surface: 650.456  Positive charged surface: 404.577  Negative charged surface: 245.878  Volume: 337.375
  Hydrophobic surface: 547.403  Hydrophilic surface: 103.053
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.