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PUBCHEM-ZINC01851801

 MMsINC code: MMs02826047
Type: Neutral
Formula: C11H23O4P
SMILES:   P1(OC(CC1(O)C)(C)C)(OCCCCC)=O
InChI:   InChI=1/C11H23O4P/c1-5-6-7-8-14-16(13)11(4,12)9-10(2,3)15-16/h12H,5-9H2,1-4H3/t11-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=53.0249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.275 g/mol  logS: -2.35646  SlogP: 2.2235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833353  Sterimol/B1: 3.53254  Sterimol/B2: 3.8986  Sterimol/B3: 4.07151
  Sterimol/B4: 5.22678  Sterimol/L: 15.1866 
 
 Surface and Volume Properties
  Accessible surface: 498.691  Positive charged surface: 365.507  Negative charged surface: 133.184  Volume: 247.875
  Hydrophobic surface: 358.391  Hydrophilic surface: 140.3
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.