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PUBCHEM-ZINC05860018

 MMsINC code: MMs03421635
Type: Neutral
Formula: C9H19O3PS
SMILES:   S=P(OCCC(C)=C)(OCC)OCC
InChI:   InChI=1/C9H19O3PS/c1-5-10-13(14,11-6-2)12-8-7-9(3)4/h3,5-8H2,1-2,4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.6976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.288 g/mol  logS: -2.79564  SlogP: 3.2667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641013  Sterimol/B1: 2.0783  Sterimol/B2: 3.00222  Sterimol/B3: 4.6176
  Sterimol/B4: 8.22056  Sterimol/L: 14.0562 
 
 Surface and Volume Properties
  Accessible surface: 499.458  Positive charged surface: 317.604  Negative charged surface: 181.854  Volume: 232.875
  Hydrophobic surface: 341.538  Hydrophilic surface: 157.92
 
 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.