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PUBCHEM-ZINC05915163

 MMsINC code: MMs03442366
Type: Neutral
Formula: C12H17O4P
SMILES:   P(OC)(OC)(=O)C1(O)CCc2c(C1)cccc2
InChI:   InChI=1/C12H17O4P/c1-15-17(14,16-2)12(13)8-7-10-5-3-4-6-11(10)9-12/h3-6,13H,7-9H2,1-2H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=60.0573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.238 g/mol  logS: -1.67981  SlogP: 1.27954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634274  Sterimol/B1: 2.29286  Sterimol/B2: 2.99017  Sterimol/B3: 3.92149
  Sterimol/B4: 6.03407  Sterimol/L: 13.6282 
 
 Surface and Volume Properties
  Accessible surface: 463.172  Positive charged surface: 334.93  Negative charged surface: 128.242  Volume: 236.875
  Hydrophobic surface: 404.262  Hydrophilic surface: 58.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.