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CHEMBRIDGE-ZINC00231784

 MMsINC code: MMs00597039
Type: Neutral
Formula: C12H17O3P
SMILES:   P1(OC(CC1(O)C)(C)C)(=O)c1ccccc1
InChI:   InChI=1/C12H17O3P/c1-11(2)9-12(3,13)16(14,15-11)10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3/t12-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=83.4986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.239 g/mol  logS: -2.36634  SlogP: 1.4272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15379  Sterimol/B1: 2.10664  Sterimol/B2: 3.78124  Sterimol/B3: 3.91309
  Sterimol/B4: 6.68814  Sterimol/L: 12.2955 
 
 Surface and Volume Properties
  Accessible surface: 436.504  Positive charged surface: 259.314  Negative charged surface: 177.19  Volume: 229.75
  Hydrophobic surface: 322.124  Hydrophilic surface: 114.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.