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PUBCHEM-ZINC06482370

 MMsINC code: MMs03758716
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-/m1/s1

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Potential Energy
Epot(MMFF94)=51.2733 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: 0.0959413  Sterimol/B1: 2.51529  Sterimol/B2: 2.7346  Sterimol/B3: 3.12862
  Sterimol/B4: 4.38934  Sterimol/L: 10.3627 
 
 Surface and Volume Properties
  Accessible surface: 311.565  Positive charged surface: 203.292  Negative charged surface: 108.274  Volume: 121.375
  Hydrophobic surface: 176.646  Hydrophilic surface: 134.919
 
 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.