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


NCID-ZINC01719970

 MMsINC code: MMs02344978
Type: Neutral
Formula: C10H13O2P
SMILES:   P1(Oc2ccccc2)(=O)CCCC1
InChI:   InChI=1/C10H13O2P/c11-13(8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

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)=40.9237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.186 g/mol  logS: -1.61128  SlogP: 2.0671  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732236  Sterimol/B1: 2.9416  Sterimol/B2: 3.31689  Sterimol/B3: 3.46889
  Sterimol/B4: 4.22216  Sterimol/L: 12.3595 
 
 Surface and Volume Properties
  Accessible surface: 392.349  Positive charged surface: 240.197  Negative charged surface: 152.152  Volume: 189.25
  Hydrophobic surface: 356.288  Hydrophilic surface: 36.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.