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NCID-ZINC04794958

 MMsINC code: MMs02406901
Type: Neutral
Formula: C10H14N2O2S
SMILES:   S(Cc1cc(OC)cc(OC)c1)C(N)=N
InChI:   InChI=1/C10H14N2O2S/c1-13-8-3-7(6-15-10(11)12)4-9(5-8)14-2/h3-5H,6H2,1-2H3,(H3,11,12)

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Potential Energy
Epot(MMFF94)=22.7007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.3 g/mol  logS: -2.98636  SlogP: 2.09687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531265  Sterimol/B1: 1.5785  Sterimol/B2: 4.75734  Sterimol/B3: 4.79688
  Sterimol/B4: 4.7995  Sterimol/L: 13.3857 
 
 Surface and Volume Properties
  Accessible surface: 448.757  Positive charged surface: 331.601  Negative charged surface: 117.157  Volume: 211.5
  Hydrophobic surface: 274.356  Hydrophilic surface: 174.401
 
 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.