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ALFAAESAR-ZINC02027666

 MMsINC code: MMs00022399
Type: Neutral
Formula: C8H11O2P
SMILES:   P(OC)(=O)(C)c1ccccc1
InChI:   InChI=1/C8H11O2P/c1-10-11(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.4864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.148 g/mol  logS: -1.18068  SlogP: 0.796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133727  Sterimol/B1: 2.60739  Sterimol/B2: 2.78381  Sterimol/B3: 4.23977
  Sterimol/B4: 4.70631  Sterimol/L: 11.2476 
 
 Surface and Volume Properties
  Accessible surface: 364.981  Positive charged surface: 230.883  Negative charged surface: 134.099  Volume: 165
  Hydrophobic surface: 314.085  Hydrophilic surface: 50.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.