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NCID-ZINC01557840

 MMsINC code: MMs02220936
Type: Neutral
Formula: C15H14N2S
SMILES:   S=C(N)c1ccc(cc1)\C=N\Cc1ccccc1
InChI:   InChI=1/C15H14N2S/c16-15(18)14-8-6-13(7-9-14)11-17-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,16,18)/b17-11+

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Potential Energy
Epot(MMFF94)=64.6104 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.357 g/mol  logS: -4.55917  SlogP: 3.2063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0777472  Sterimol/B1: 2.74406  Sterimol/B2: 3.03962  Sterimol/B3: 4.87687
  Sterimol/B4: 5.37876  Sterimol/L: 16.1198 
 
 Surface and Volume Properties
  Accessible surface: 513.967  Positive charged surface: 279.815  Negative charged surface: 234.152  Volume: 256.875
  Hydrophobic surface: 361.158  Hydrophilic surface: 152.809
 
 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.