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ALFAAESAR-ZINC04268695

 MMsINC code: MMs00024664
Type: Neutral
Formula: C8H11O3P
SMILES:   P(O)(O)(=O)Cc1ccccc1C
InChI:   InChI=1/C8H11O3P/c1-7-4-2-3-5-8(7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-4.73026 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: 0.133076  Sterimol/B1: 2.30348  Sterimol/B2: 2.77784  Sterimol/B3: 3.48282
  Sterimol/B4: 6.09403  Sterimol/L: 11.1442 
 
 Surface and Volume Properties
  Accessible surface: 358.299  Positive charged surface: 186.556  Negative charged surface: 171.743  Volume: 166.375
  Hydrophobic surface: 237.197  Hydrophilic surface: 121.102
 
 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.