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ASINEX-ZINC04849392

 MMsINC code: MMs00379781
Type: Neutral
Formula: C20H19ClN2O2S
SMILES:   Clc1ccccc1NC(=O)CSc1nc2cc(OC)ccc2cc1CC
InChI:   InChI=1/C20H19ClN2O2S/c1-3-13-10-14-8-9-15(25-2)11-18(14)23-20(13)26-12-19(24)22-17-7-5-4-6-16(17)21/h4-11H,3,12H2,1-2H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=98.1057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.903 g/mol  logS: -6.76287  SlogP: 5.18997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221928  Sterimol/B1: 2.37158  Sterimol/B2: 2.52145  Sterimol/B3: 3.93395
  Sterimol/B4: 10.3718  Sterimol/L: 18.5284 
 
 Surface and Volume Properties
  Accessible surface: 655.304  Positive charged surface: 382.73  Negative charged surface: 267.332  Volume: 355.875
  Hydrophobic surface: 549.972  Hydrophilic surface: 105.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.