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APOLLO-ZINC01596912

 MMsINC code: MMs00049564
Type: Neutral
Formula: C8H11O3P
SMILES:   P(O)(O)(=O)c1cc(C)c(cc1)C
InChI:   InChI=1/C8H11O3P/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-14.3157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.147 g/mol  logS: -1.69272  SlogP: 0.03624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534523  Sterimol/B1: 2.57583  Sterimol/B2: 3.2594  Sterimol/B3: 3.51244
  Sterimol/B4: 5.08131  Sterimol/L: 10.6231 
 
 Surface and Volume Properties
  Accessible surface: 373.232  Positive charged surface: 193.163  Negative charged surface: 180.07  Volume: 167.625
  Hydrophobic surface: 238.273  Hydrophilic surface: 134.959
 
 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.