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ENAMINE-ZINC05910161

 MMsINC code: MMs01645195
Type: Neutral
Formula: C6H8N2S
SMILES:   s1cccc1/C(=N\N)/C
InChI:   InChI=1/C6H8N2S/c1-5(8-7)6-3-2-4-9-6/h2-4H,7H2,1H3/b8-5+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.3701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.21 g/mol  logS: -1.68451  SlogP: 1.4308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0158616  Sterimol/B1: 2.19258  Sterimol/B2: 2.4142  Sterimol/B3: 2.51222
  Sterimol/B4: 4.82142  Sterimol/L: 10.4347 
 
 Surface and Volume Properties
  Accessible surface: 316.569  Positive charged surface: 163.172  Negative charged surface: 153.398  Volume: 136.625
  Hydrophobic surface: 232.958  Hydrophilic surface: 83.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.