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AURORAFEINCHEMIE-ZINC01445001

 MMsINC code: MMs00448454
Type: Neutral
Formula: C8H19O3P
SMILES:   P(OC(C)(C)C)(OCC)OCC
InChI:   InChI=1/C8H19O3P/c1-6-9-12(10-7-2)11-8(3,4)5/h6-7H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.5901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -1.65147  SlogP: 3.1014  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.161803  Sterimol/B1: 2.41783  Sterimol/B2: 3.1537  Sterimol/B3: 3.8994
  Sterimol/B4: 8.4849  Sterimol/L: 11.2297 
 
 Surface and Volume Properties
  Accessible surface: 441.564  Positive charged surface: 331.611  Negative charged surface: 109.953  Volume: 202.875
  Hydrophobic surface: 325.093  Hydrophilic surface: 116.471
 
 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.