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


PUBCHEM-ZINC06069710

 MMsINC code: MMs03522602
Type: Neutral
Formula: C14H21O4P
SMILES:   P1(OCC(CO1)(C)C)(Oc1c(cc(cc1C)C)C)=O
InChI:   InChI=1/C14H21O4P/c1-10-6-11(2)13(12(3)7-10)18-19(15)16-8-14(4,5)9-17-19/h6-7H,8-9H2,1-5H3

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)=44.5665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.292 g/mol  logS: -3.11703  SlogP: 3.10156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863318  Sterimol/B1: 2.7301  Sterimol/B2: 3.45178  Sterimol/B3: 4.15073
  Sterimol/B4: 5.73242  Sterimol/L: 14.6989 
 
 Surface and Volume Properties
  Accessible surface: 495.256  Positive charged surface: 323.197  Negative charged surface: 172.059  Volume: 271.375
  Hydrophobic surface: 423.135  Hydrophilic surface: 72.121
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.