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


NCID-ZINC01677090

 MMsINC code: MMs02312172
Type: Neutral
Formula: C8H11NO2
SMILES:   O(C)c1c(N)cccc1OC
InChI:   InChI=1/C8H11NO2/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,9H2,1-2H3

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)=61.8201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.181 g/mol  logS: -1.20652  SlogP: 1.286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555253  Sterimol/B1: 2.30894  Sterimol/B2: 2.65004  Sterimol/B3: 4.18427
  Sterimol/B4: 5.43609  Sterimol/L: 9.98528 
 
 Surface and Volume Properties
  Accessible surface: 348.458  Positive charged surface: 271.242  Negative charged surface: 77.2159  Volume: 155.625
  Hydrophobic surface: 281.518  Hydrophilic surface: 66.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.