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ALFAAESAR-ZINC01719111

 MMsINC code: MMs00022073
Type: Neutral
Formula: C11H11O3P
SMILES:   P(O)(O)(=O)Cc1c2c(ccc1)cccc2
InChI:   InChI=1/C11H11O3P/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=7.1514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.18 g/mol  logS: -2.5668  SlogP: 1.7137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0870176  Sterimol/B1: 3.05892  Sterimol/B2: 3.2685  Sterimol/B3: 3.28944
  Sterimol/B4: 6.657  Sterimol/L: 11.2771 
 
 Surface and Volume Properties
  Accessible surface: 403.802  Positive charged surface: 203.595  Negative charged surface: 191.114  Volume: 198.375
  Hydrophobic surface: 279.788  Hydrophilic surface: 124.014
 
 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.