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PUBCHEM-ZINC01638047

 MMsINC code: MMs02817269
Type: Neutral
Formula: C10H12N4S2
SMILES:   S1S\C(\N=C1N(C)C)=N\Cc1cccnc1
InChI:   InChI=1/C10H12N4S2/c1-14(2)10-13-9(15-16-10)12-7-8-4-3-5-11-6-8/h3-6H,7H2,1-2H3/b12-9-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.5322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.366 g/mol  logS: -3.10017  SlogP: 2.5166  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0796362  Sterimol/B1: 1.969  Sterimol/B2: 3.72197  Sterimol/B3: 3.82328
  Sterimol/B4: 6.1837  Sterimol/L: 14.4804 
 
 Surface and Volume Properties
  Accessible surface: 469.953  Positive charged surface: 325.602  Negative charged surface: 144.352  Volume: 229.25
  Hydrophobic surface: 405.883  Hydrophilic surface: 64.07
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.