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PUBCHEM-ZINC05481944

 MMsINC code: MMs03282080
Type: Neutral
Formula: C14H23O3P
SMILES:   P(=O)(C(O)C(C)C)(C(O)C(C)C)c1ccccc1
InChI:   InChI=1/C14H23O3P/c1-10(2)13(15)18(17,14(16)11(3)4)12-8-6-5-7-9-12/h5-11,13-16H,1-4H3/t13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=83.5955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -1.744  SlogP: 1.5536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243851  Sterimol/B1: 2.95316  Sterimol/B2: 3.22452  Sterimol/B3: 5.00344
  Sterimol/B4: 6.10189  Sterimol/L: 12.8297 
 
 Surface and Volume Properties
  Accessible surface: 478.997  Positive charged surface: 289.582  Negative charged surface: 189.415  Volume: 274.25
  Hydrophobic surface: 335.599  Hydrophilic surface: 143.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.