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


PUBCHEM-ZINC06070959

 MMsINC code: MMs03523792
Type: Neutral
Formula: C17H21O3P
SMILES:   P(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)(=O)C(C)C
InChI:   InChI=1/C17H21O3P/c1-13(2)21(18,19-16-9-5-14(3)6-10-16)20-17-11-7-15(4)8-12-17/h5-13H,1-4H3

Download   format file 
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)=58.2038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.326 g/mol  logS: -4.6178  SlogP: 4.29254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11893  Sterimol/B1: 2.21222  Sterimol/B2: 3.40647  Sterimol/B3: 4.10611
  Sterimol/B4: 8.7683  Sterimol/L: 15.2765 
 
 Surface and Volume Properties
  Accessible surface: 562.396  Positive charged surface: 345.938  Negative charged surface: 216.458  Volume: 303.125
  Hydrophobic surface: 508.294  Hydrophilic surface: 54.102
 
 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.