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CHEMBRIDGE-ZINC00619535

 MMsINC code: MMs00635784
Type: Neutral
Formula: C11H10N2OS
SMILES:   S=C1NC(=CC(Oc2ccccc2)=N1)C
InChI:   InChI=1/C11H10N2OS/c1-8-7-10(13-11(15)12-8)14-9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,15)

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Potential Energy
Epot(MMFF94)=34.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.28 g/mol  logS: -4.01687  SlogP: 2.2558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0832216  Sterimol/B1: 2.96432  Sterimol/B2: 3.33633  Sterimol/B3: 3.79988
  Sterimol/B4: 5.99513  Sterimol/L: 13.2049 
 
 Surface and Volume Properties
  Accessible surface: 434.158  Positive charged surface: 218.978  Negative charged surface: 215.179  Volume: 205.25
  Hydrophobic surface: 312.254  Hydrophilic surface: 121.904
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.