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PUBCHEM-ZINC06753378

MMsINC code: MMs03850441

Type: Neutral
Formula: C4H10NO5PS
SMILES:   S(CC(N)C(O)=O)CP(O)(O)=O
InChI:   InChI=1/C4H10NO5PS/c5-3(4(6)7)1-12-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=2.15425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.166 g/mol  logS: 0.6944  SlogP: -1.8035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157865  Sterimol/B1: 3.16317  Sterimol/B2: 3.25535  Sterimol/B3: 3.68174
  Sterimol/B4: 3.98714  Sterimol/L: 11.3946 
 
 Surface and Volume Properties
  Accessible surface: 380.494  Positive charged surface: 218.071  Negative charged surface: 162.423  Volume: 161.625
  Hydrophobic surface: 76.7618  Hydrophilic surface: 303.7322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  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.