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PUBCHEM-ZINC03091233

 MMsINC code: MMs02992134
Type: Neutral
Formula: C8H11O3P
SMILES:   P(O)(O)(=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C8H11O3P/c1-6-3-7(2)5-8(4-6)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-22.9288 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: 0.0835382  Sterimol/B1: 2.17336  Sterimol/B2: 3.00591  Sterimol/B3: 3.491
  Sterimol/B4: 7.28942  Sterimol/L: 10.3227 
 
 Surface and Volume Properties
  Accessible surface: 379.685  Positive charged surface: 208.465  Negative charged surface: 171.22  Volume: 168.25
  Hydrophobic surface: 244.104  Hydrophilic surface: 135.581
 
 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.