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PUBCHEM-ZINC06482511

 MMsINC code: MMs03758870
Type: Neutral
Formula: C4H8NO2S-
SMILES:   SCC([NH-])C(OC)=O
InChI:   InChI=1/C4H8NO2S/c1-7-4(6)3(5)2-8/h3,5,8H,2H2,1H3/q-1/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=51.9887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.179 g/mol  logS: -0.70292  SlogP: -0.2593  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0953426  Sterimol/B1: 2.56326  Sterimol/B2: 2.71944  Sterimol/B3: 3.14279
  Sterimol/B4: 4.3621  Sterimol/L: 10.4068 
 
 Surface and Volume Properties
  Accessible surface: 314.516  Positive charged surface: 206.184  Negative charged surface: 108.332  Volume: 120.625
  Hydrophobic surface: 180.121  Hydrophilic surface: 134.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 1  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.