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ASINEX-ZINC00892713

 MMsINC code: MMs00210343
Type: Neutral
Formula: C19H14ClN3O3S
SMILES:   Clc1ccccc1-c1noc(C)c1C(=O)Nc1sc2cc(OC)ccc2n1
InChI:   InChI=1/C19H14ClN3O3S/c1-10-16(17(23-26-10)12-5-3-4-6-13(12)20)18(24)22-19-21-14-8-7-11(25-2)9-15(14)27-19/h3-9H,1-2H3,(H,21,22,24)

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Potential Energy
Epot(MMFF94)=86.2967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.858 g/mol  logS: -6.78131  SlogP: 5.17402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0677809  Sterimol/B1: 2.20006  Sterimol/B2: 3.35626  Sterimol/B3: 4.70425
  Sterimol/B4: 10.3391  Sterimol/L: 17.7696 
 
 Surface and Volume Properties
  Accessible surface: 643.273  Positive charged surface: 324.518  Negative charged surface: 318.754  Volume: 342.875
  Hydrophobic surface: 558.969  Hydrophilic surface: 84.304
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.