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PUBCHEM-ZINC06019705

MMsINC code: MMs03494949

Type: Neutral
Formula: C5H10O2S
SMILES:   S(CCCC(O)=O)C
InChI:   InChI=1/C5H10O2S/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=0.716766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.199 g/mol  logS: -0.66195  SlogP: 1.2142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0465883  Sterimol/B1: 2.37524  Sterimol/B2: 2.3754  Sterimol/B3: 2.665
  Sterimol/B4: 3.19989  Sterimol/L: 12.2765 
 
 Surface and Volume Properties
  Accessible surface: 323.785  Positive charged surface: 203.173  Negative charged surface: 120.612  Volume: 128.875
  Hydrophobic surface: 185.799  Hydrophilic surface: 137.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03494950
PUBCHEM-ZINC06019705