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IBS-ZINC02146586

 MMsINC code: MMs01795114
Type: Neutral
Formula: C8H9O3P
SMILES:   P(O)(O)(=O)C(=C)c1ccccc1
InChI:   InChI=1/C8H9O3P/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-6H,1H2,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-9.94732 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.131 g/mol  logS: -1.2507  SlogP: 0.7648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581364  Sterimol/B1: 2.23437  Sterimol/B2: 3.21533  Sterimol/B3: 3.26945
  Sterimol/B4: 5.93747  Sterimol/L: 11.3983 
 
 Surface and Volume Properties
  Accessible surface: 361.158  Positive charged surface: 171.95  Negative charged surface: 189.208  Volume: 163.125
  Hydrophobic surface: 198.548  Hydrophilic surface: 162.61
 
 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.