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PUBCHEM-ZINC05759420

 MMsINC code: MMs03373316
Type: Neutral
Formula: C12H27O3P
SMILES:   P(OCC(C)C)(OCC(C)C)(=O)CC(C)C
InChI:   InChI=1/C12H27O3P/c1-10(2)7-14-16(13,9-12(5)6)15-8-11(3)4/h10-12H,7-9H2,1-6H3

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Potential Energy
Epot(MMFF94)=19.0488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.319 g/mol  logS: -1.80363  SlogP: 3.1105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179087  Sterimol/B1: 3.28911  Sterimol/B2: 4.51053  Sterimol/B3: 4.53171
  Sterimol/B4: 7.97342  Sterimol/L: 11.6392 
 
 Surface and Volume Properties
  Accessible surface: 521.956  Positive charged surface: 372.229  Negative charged surface: 149.726  Volume: 267.875
  Hydrophobic surface: 376.821  Hydrophilic surface: 145.135
 
 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.