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ASINEX-ZINC00634391

 MMsINC code: MMs00143997
Type: Neutral
Formula: C18H25ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2CCCCCC2)cc1
InChI:   InChI=1/C18H25ClN2O3S/c19-14-9-11-16(12-10-14)25(23,24)21-13-5-8-17(21)18(22)20-15-6-3-1-2-4-7-15/h9-12,15,17H,1-8,13H2,(H,20,22)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=69.4033 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.928 g/mol  logS: -4.74404  SlogP: 3.3321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0929222  Sterimol/B1: 3.35504  Sterimol/B2: 4.53007  Sterimol/B3: 5.05131
  Sterimol/B4: 6.96321  Sterimol/L: 15.7784 
 
 Surface and Volume Properties
  Accessible surface: 609.445  Positive charged surface: 369.26  Negative charged surface: 240.185  Volume: 350
  Hydrophobic surface: 542.621  Hydrophilic surface: 66.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.