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


NCID-ZINC01737314

 MMsINC code: MMs02358304
Type: Neutral
Formula: C15H25O3P
SMILES:   P(OCC(C)C)(OCC(C)C)(=O)Cc1ccccc1
InChI:   InChI=1/C15H25O3P/c1-13(2)10-17-19(16,18-11-14(3)4)12-15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3

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)=39.4088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.336 g/mol  logS: -2.84078  SlogP: 3.9211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132454  Sterimol/B1: 2.49292  Sterimol/B2: 2.5137  Sterimol/B3: 4.57335
  Sterimol/B4: 8.42128  Sterimol/L: 15.0698 
 
 Surface and Volume Properties
  Accessible surface: 561.688  Positive charged surface: 372.53  Negative charged surface: 189.157  Volume: 293.75
  Hydrophobic surface: 457.556  Hydrophilic surface: 104.132
 
 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.