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ASINEX-ZINC04743068

 MMsINC code: MMs00368835
Type: Neutral
Formula: C11H10N2O2S
SMILES:   S1\C(=C\c2cc(OC)ccc2)\C(=O)NC1=N
InChI:   InChI=1/C11H10N2O2S/c1-15-8-4-2-3-7(5-8)6-9-10(14)13-11(12)16-9/h2-6H,1H3,(H2,12,13,14)/b9-6+

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Potential Energy
Epot(MMFF94)=41.4393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.279 g/mol  logS: -3.3418  SlogP: 1.83387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371375  Sterimol/B1: 2.52286  Sterimol/B2: 2.63362  Sterimol/B3: 2.90078
  Sterimol/B4: 6.59251  Sterimol/L: 13.5364 
 
 Surface and Volume Properties
  Accessible surface: 428.453  Positive charged surface: 255.026  Negative charged surface: 173.427  Volume: 210.5
  Hydrophobic surface: 243.817  Hydrophilic surface: 184.636
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.