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PUBCHEM-ZINC03631897

 MMsINC code: MMs03027899
Type: Neutral
Formula: C24H27O4P
SMILES:   P(Oc1ccc(cc1C)C)(Oc1ccc(cc1C)C)(Oc1ccc(cc1)CC)=O
InChI:   InChI=1/C24H27O4P/c1-6-21-9-11-22(12-10-21)26-29(25,27-23-13-7-17(2)15-19(23)4)28-24-14-8-18(3)16-20(24)5/h7-16H,6H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.06 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.45 g/mol  logS: -7.2301  SlogP: 6.05735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106024  Sterimol/B1: 3.63885  Sterimol/B2: 4.57211  Sterimol/B3: 4.58674
  Sterimol/B4: 7.03097  Sterimol/L: 18.1232 
 
 Surface and Volume Properties
  Accessible surface: 649.646  Positive charged surface: 409.708  Negative charged surface: 239.938  Volume: 401.125
  Hydrophobic surface: 592.863  Hydrophilic surface: 56.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.