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ASINEX-ZINC00715827

 MMsINC code: MMs00152673
Type: Neutral
Formula: C17H9Cl2N3OS
SMILES:   Clc1cc(Cl)ccc1C1=Nc2c(cccc2)C(=O)N1c1sccn1
InChI:   InChI=1/C17H9Cl2N3OS/c18-10-5-6-11(13(19)9-10)15-21-14-4-2-1-3-12(14)16(23)22(15)17-20-7-8-24-17/h1-9H

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Potential Energy
Epot(MMFF94)=111.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.251 g/mol  logS: -6.61717  SlogP: 5.1886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561821  Sterimol/B1: 3.43581  Sterimol/B2: 4.09702  Sterimol/B3: 5.15812
  Sterimol/B4: 5.65502  Sterimol/L: 14.9065 
 
 Surface and Volume Properties
  Accessible surface: 527.746  Positive charged surface: 236.973  Negative charged surface: 290.773  Volume: 301.625
  Hydrophobic surface: 479.87  Hydrophilic surface: 47.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.