logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC06071651

MMsINC code: MMs03524480

Type: Neutral
Formula: C19H25O3P
SMILES:   P(Oc1cccc(C)c1C)(Oc1cccc(C)c1C)(=O)C(C)C
InChI:   InChI=1/C19H25O3P/c1-13(2)23(20,21-18-11-7-9-14(3)16(18)5)22-19-12-8-10-15(4)17(19)6/h7-13H,1-6H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  

This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=96.2721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.38 g/mol  logS: -4.93874  SlogP: 4.90938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168683  Sterimol/B1: 2.68849  Sterimol/B2: 5.36653  Sterimol/B3: 5.54443
  Sterimol/B4: 6.13194  Sterimol/L: 14.1172 
 
 Surface and Volume Properties
  Accessible surface: 556.24  Positive charged surface: 350.382  Negative charged surface: 205.858  Volume: 332.5
  Hydrophobic surface: 502.815  Hydrophilic surface: 53.425
 
 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

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.