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AURORAFEINCHEMIE-ZINC02565703

 MMsINC code: MMs00454869
Type: Neutral
Formula: C8H11O3P
SMILES:   P(=O)(CO)(CO)c1ccccc1
InChI:   InChI=1/C8H11O3P/c9-6-12(11,7-10)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.147 g/mol  logS: 0.06796  SlogP: -0.4956  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151741  Sterimol/B1: 2.89502  Sterimol/B2: 3.77437  Sterimol/B3: 3.90881
  Sterimol/B4: 4.12558  Sterimol/L: 11.0116 
 
 Surface and Volume Properties
  Accessible surface: 376.994  Positive charged surface: 236.834  Negative charged surface: 140.16  Volume: 170.5
  Hydrophobic surface: 258.77  Hydrophilic surface: 118.224
 
 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: no related molecules available.