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AURORAFEINCHEMIE-ZINC02391183

 MMsINC code: MMs00452848
Type: Neutral
Formula: C9H21O3P
SMILES:   P(OC(C)(C)C)(OC(C)(C)C)(=O)C
InChI:   InChI=1/C9H21O3P/c1-8(2,3)11-13(7,10)12-9(4,5)6/h1-7H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.238 g/mol  logS: -1.57464  SlogP: 2.3693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200651  Sterimol/B1: 2.03403  Sterimol/B2: 3.62521  Sterimol/B3: 4.99262
  Sterimol/B4: 5.44024  Sterimol/L: 11.6345 
 
 Surface and Volume Properties
  Accessible surface: 416.752  Positive charged surface: 281.039  Negative charged surface: 135.713  Volume: 213.625
  Hydrophobic surface: 279.979  Hydrophilic surface: 136.773
 
 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.