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ASINEX-ZINC00137449

 MMsINC code: MMs00081210
Type: Neutral
Formula: C10H8Cl2N2S
SMILES:   Clc1cc(ccc1Cl)Cc1sc(nc1)N
InChI:   InChI=1/C10H8Cl2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)

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Potential Energy
Epot(MMFF94)=28.1003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.16 g/mol  logS: -4.00156  SlogP: 3.62287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152715  Sterimol/B1: 2.88271  Sterimol/B2: 3.19069  Sterimol/B3: 4.57321
  Sterimol/B4: 5.10176  Sterimol/L: 13.1897 
 
 Surface and Volume Properties
  Accessible surface: 430.852  Positive charged surface: 200.102  Negative charged surface: 230.75  Volume: 214.125
  Hydrophobic surface: 333.529  Hydrophilic surface: 97.323
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.