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PUBCHEM-ZINC00301408

 MMsINC code: MMs02651854
Type: Neutral
Formula: C9H11O3P
SMILES:   P(=O)(C)(C)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C9H11O3P/c1-13(2,12)8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3,(H,10,11)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.158 g/mol  logS: -0.89552  SlogP: 0.5626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107185  Sterimol/B1: 2.42288  Sterimol/B2: 3.80901  Sterimol/B3: 4.38114
  Sterimol/B4: 4.56845  Sterimol/L: 12.1469 
 
 Surface and Volume Properties
  Accessible surface: 390.796  Positive charged surface: 213.375  Negative charged surface: 177.421  Volume: 182.5
  Hydrophobic surface: 222.136  Hydrophilic surface: 168.66
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02651855
PUBCHEM-ZINC00301408