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PUBCHEM-ZINC06403472

 MMsINC code: MMs03708071
Type: Neutral
Formula: C5H10NO2S-
SMILES:   SCC([NH-])C(OCC)=O
InChI:   InChI=1/C5H10NO2S/c1-2-8-5(7)4(6)3-9/h4,6,9H,2-3H2,1H3/q-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=49.8541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.206 g/mol  logS: -1.03013  SlogP: 0.1308  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0776998  Sterimol/B1: 2.55183  Sterimol/B2: 2.97338  Sterimol/B3: 2.97585
  Sterimol/B4: 4.44437  Sterimol/L: 11.6779 
 
 Surface and Volume Properties
  Accessible surface: 344.096  Positive charged surface: 215.77  Negative charged surface: 128.327  Volume: 139.375
  Hydrophobic surface: 189.579  Hydrophilic surface: 154.517
 
 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.