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PUBCHEM-ZINC03164108

 MMsINC code: MMs03003927
Type: Neutral
Formula: C6H14NO3PS
SMILES:   S=P(OC)(OC)N1CCOCC1
InChI:   InChI=1/C6H14NO3PS/c1-8-11(12,9-2)7-3-5-10-6-4-7/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.2743 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.222 g/mol  logS: -0.92901  SlogP: 0.8359  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24946  Sterimol/B1: 2.26753  Sterimol/B2: 2.93016  Sterimol/B3: 5.16908
  Sterimol/B4: 6.50408  Sterimol/L: 10.0008 
 
 Surface and Volume Properties
  Accessible surface: 390.635  Positive charged surface: 320.263  Negative charged surface: 70.3718  Volume: 184.625
  Hydrophobic surface: 320.263  Hydrophilic surface: 70.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.