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PUBCHEM-ZINC05638852

 MMsINC code: MMs03331731
Type: Neutral
Formula: C6H14NO2PS
SMILES:   S=P(O)(O)NC1CCCCC1
InChI:   InChI=1/C6H14NO2PS/c8-10(9,11)7-6-4-2-1-3-5-6/h6H,1-5H2,(H3,7,8,9,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-64.4973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.223 g/mol  logS: -1.34273  SlogP: 1.1178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140474  Sterimol/B1: 2.92645  Sterimol/B2: 3.51378  Sterimol/B3: 4.17967
  Sterimol/B4: 4.21771  Sterimol/L: 11.3293 
 
 Surface and Volume Properties
  Accessible surface: 369.605  Positive charged surface: 224.989  Negative charged surface: 144.616  Volume: 170.75
  Hydrophobic surface: 196.168  Hydrophilic surface: 173.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.