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ASINEX-ZINC01363591

 MMsINC code: MMs00247642
Type: Neutral
Formula: C19H17Cl2N3O3S
SMILES:   Clc1cc(S(=O)(=O)N2CC(CCC2)c2onc(n2)-c2ccc(Cl)cc2)ccc1
InChI:   InChI=1/C19H17Cl2N3O3S/c20-15-8-6-13(7-9-15)18-22-19(27-23-18)14-3-2-10-24(12-14)28(25,26)17-5-1-4-16(21)11-17/h1,4-9,11,14H,2-3,10,12H2/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=64.9514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.335 g/mol  logS: -6.82218  SlogP: 4.6117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600411  Sterimol/B1: 2.52046  Sterimol/B2: 3.57942  Sterimol/B3: 4.23593
  Sterimol/B4: 8.59171  Sterimol/L: 21.0962 
 
 Surface and Volume Properties
  Accessible surface: 660.974  Positive charged surface: 292.705  Negative charged surface: 368.268  Volume: 365.125
  Hydrophobic surface: 562.893  Hydrophilic surface: 98.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.