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ENAMINE-ZINC06590262

 MMsINC code: MMs01681414
Type: Neutral
Formula: C6H12N2S
SMILES:   S(C(=N)N1CCCC1)C
InChI:   InChI=1/C6H12N2S/c1-9-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.98871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.242 g/mol  logS: -1.4581  SlogP: 1.37997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0657929  Sterimol/B1: 2.78775  Sterimol/B2: 2.91105  Sterimol/B3: 3.06262
  Sterimol/B4: 3.73801  Sterimol/L: 10.8562 
 
 Surface and Volume Properties
  Accessible surface: 332.511  Positive charged surface: 234.121  Negative charged surface: 98.3901  Volume: 146.125
  Hydrophobic surface: 243.276  Hydrophilic surface: 89.235
 
 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.