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PUBCHEM-ZINC06002815

 MMsINC code: MMs03484645
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OC(CC)C)(OCC)(OCC)=O
InChI:   InChI=1/C8H19O4P/c1-5-8(4)12-13(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-11.7066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -1.37655  SlogP: 1.9124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122708  Sterimol/B1: 2.52025  Sterimol/B2: 2.75516  Sterimol/B3: 4.17652
  Sterimol/B4: 7.63673  Sterimol/L: 11.8655 
 
 Surface and Volume Properties
  Accessible surface: 444.544  Positive charged surface: 311.907  Negative charged surface: 132.637  Volume: 208.375
  Hydrophobic surface: 316.977  Hydrophilic surface: 127.567
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.