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PUBCHEM-ZINC03606181

 MMsINC code: MMs03020296
Type: Neutral
Formula: C4H10N2OS
SMILES:   S(C(N)C(=O)N)CC
InChI:   InChI=1/C4H10N2OS/c1-2-8-4(6)3(5)7/h4H,2,6H2,1H3,(H2,5,7)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=26.0001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.203 g/mol  logS: -0.76028  SlogP: -0.4904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967114  Sterimol/B1: 2.87101  Sterimol/B2: 2.8801  Sterimol/B3: 2.96922
  Sterimol/B4: 3.89088  Sterimol/L: 10.6335 
 
 Surface and Volume Properties
  Accessible surface: 320.714  Positive charged surface: 218.28  Negative charged surface: 102.434  Volume: 126.25
  Hydrophobic surface: 112.082  Hydrophilic surface: 208.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.