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PUBCHEM-ZINC05759759

 MMsINC code: MMs03373439
Type: Neutral
Formula: C12H27O3P
SMILES:   [PH](OC(CC(C)C)C)(OC(CC(C)C)C)=O
InChI:   InChI=1/C12H27O3P/c1-9(2)7-11(5)14-16(13)15-12(6)8-10(3)4/h9-12,16H,7-8H2,1-6H3/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=23.5511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.319 g/mol  logS: -3.99597  SlogP: 3.2083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0841526  Sterimol/B1: 2.52212  Sterimol/B2: 3.2594  Sterimol/B3: 4.19923
  Sterimol/B4: 6.68586  Sterimol/L: 15.5813 
 
 Surface and Volume Properties
  Accessible surface: 530.636  Positive charged surface: 355.804  Negative charged surface: 174.832  Volume: 266.5
  Hydrophobic surface: 369.557  Hydrophilic surface: 161.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.