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


PUBCHEM-ZINC03165261

 MMsINC code: MMs03004087
Type: Neutral
Formula: C11H17OP
SMILES:   P(=O)(CC)(CC)c1ccc(cc1)C
InChI:   InChI=1/C11H17OP/c1-4-13(12,5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

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)=25.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.23 g/mol  logS: -2.05446  SlogP: 1.95302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126699  Sterimol/B1: 2.44603  Sterimol/B2: 2.92334  Sterimol/B3: 3.93406
  Sterimol/B4: 6.50556  Sterimol/L: 12.2226 
 
 Surface and Volume Properties
  Accessible surface: 422.518  Positive charged surface: 264.973  Negative charged surface: 157.544  Volume: 210
  Hydrophobic surface: 357.924  Hydrophilic surface: 64.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.