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AURORAFEINCHEMIE-ZINC02391202

 MMsINC code: MMs00452858
Type: Neutral
Formula: C14H15O3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)CC
InChI:   InChI=1/C14H15O3P/c1-2-18(15,16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h3-12H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.7786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.245 g/mol  logS: -3.34275  SlogP: 3.2872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132384  Sterimol/B1: 2.2891  Sterimol/B2: 3.41561  Sterimol/B3: 3.96328
  Sterimol/B4: 8.49491  Sterimol/L: 13.1044 
 
 Surface and Volume Properties
  Accessible surface: 478.249  Positive charged surface: 274.753  Negative charged surface: 203.496  Volume: 250.875
  Hydrophobic surface: 433.124  Hydrophilic surface: 45.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.