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APOLLO-ZINC02571298

 MMsINC code: MMs00054691
Type: Neutral
Formula: C8H11O3P
SMILES:   P(O)(O)(=O)Cc1ccc(cc1)C
InChI:   InChI=1/C8H11O3P/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-12.8884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.147 g/mol  logS: -1.16284  SlogP: 0.86892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887947  Sterimol/B1: 2.90262  Sterimol/B2: 3.50128  Sterimol/B3: 3.53531
  Sterimol/B4: 3.86734  Sterimol/L: 12.1483 
 
 Surface and Volume Properties
  Accessible surface: 376.857  Positive charged surface: 207.108  Negative charged surface: 169.749  Volume: 167.5
  Hydrophobic surface: 247.231  Hydrophilic surface: 129.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.