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NCID-ZINC05707357

 MMsINC code: MMs02488210
Type: Neutral
Formula: C5H10NO2S+
SMILES:   [S+]1(NC(CC1)C(O)=O)C
InChI:   InChI=1/C5H9NO2S/c1-9-3-2-4(6-9)5(7)8/h4,6H,2-3H2,1H3/p+1/t4-,9+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.1187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.206 g/mol  logS: -0.49578  SlogP: -0.404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139624  Sterimol/B1: 2.44459  Sterimol/B2: 2.54568  Sterimol/B3: 3.03912
  Sterimol/B4: 4.51773  Sterimol/L: 10.459 
 
 Surface and Volume Properties
  Accessible surface: 316.518  Positive charged surface: 223.451  Negative charged surface: 93.0677  Volume: 133.125
  Hydrophobic surface: 153.553  Hydrophilic surface: 162.965
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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


MMs02488211
NCID-ZINC05707357