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PUBCHEM-ZINC06360521

 MMsINC code: MMs03686219
Type: Neutral
Formula: C5H10N2O3S
SMILES:   S(CC(N)C(=O)N)CC(O)=O
InChI:   InChI=1/C5H10N2O3S/c6-3(5(7)10)1-11-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=39.1072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.212 g/mol  logS: -0.54818  SlogP: -1.3832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631933  Sterimol/B1: 2.61157  Sterimol/B2: 3.14213  Sterimol/B3: 3.19136
  Sterimol/B4: 4.09  Sterimol/L: 12.4331 
 
 Surface and Volume Properties
  Accessible surface: 366.544  Positive charged surface: 238.71  Negative charged surface: 127.835  Volume: 151.625
  Hydrophobic surface: 84.4169  Hydrophilic surface: 282.1271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.