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ASINEX-ZINC01326510

 MMsINC code: MMs00235469
Type: Neutral
Formula: C19H18ClN3OS
SMILES:   Clc1ccc(NC(=O)N2CCC(CC2)c2sc3c(n2)cccc3)cc1
InChI:   InChI=1/C19H18ClN3OS/c20-14-5-7-15(8-6-14)21-19(24)23-11-9-13(10-12-23)18-22-16-3-1-2-4-17(16)25-18/h1-8,13H,9-12H2,(H,21,24)

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Potential Energy
Epot(MMFF94)=52.1954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.892 g/mol  logS: -4.82973  SlogP: 5.3612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0599473  Sterimol/B1: 3.27904  Sterimol/B2: 4.27379  Sterimol/B3: 4.36945
  Sterimol/B4: 4.46551  Sterimol/L: 20.5552 
 
 Surface and Volume Properties
  Accessible surface: 617.374  Positive charged surface: 341.979  Negative charged surface: 275.395  Volume: 335.875
  Hydrophobic surface: 561.229  Hydrophilic surface: 56.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.