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ENAMINE-ZINC05247223

 MMsINC code: MMs01601392
Type: Neutral
Formula: C6H12N2S
SMILES:   S1C(CN(CC)C1=N)C
InChI:   InChI=1/C6H12N2S/c1-3-8-4-5(2)9-6(8)7/h5,7H,3-4H2,1-2H3/b7-6-/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=-3.84588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.242 g/mol  logS: -1.70898  SlogP: 1.37837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187662  Sterimol/B1: 2.27687  Sterimol/B2: 2.33894  Sterimol/B3: 3.93132
  Sterimol/B4: 5.5325  Sterimol/L: 9.98508 
 
 Surface and Volume Properties
  Accessible surface: 328.737  Positive charged surface: 227.951  Negative charged surface: 100.786  Volume: 146.5
  Hydrophobic surface: 177.699  Hydrophilic surface: 151.038
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.