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


PUBCHEM-ZINC02002141

 MMsINC code: MMs02844092
Type: Neutral
Formula: C10H13NO2
SMILES:   OC1c2cc(O)ccc2CN(C1)C
InChI:   InChI=1/C10H13NO2/c1-11-5-7-2-3-8(12)4-9(7)10(13)6-11/h2-4,10,12-13H,5-6H2,1H3/t10-/m1/s1

Download   format file 
Drug Similarity  |  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)=52.5609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.219 g/mol  logS: -0.81424  SlogP: 1.2329  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548525  Sterimol/B1: 2.36227  Sterimol/B2: 3.16209  Sterimol/B3: 3.78319
  Sterimol/B4: 5.01926  Sterimol/L: 11.5955 
 
 Surface and Volume Properties
  Accessible surface: 369.919  Positive charged surface: 270.464  Negative charged surface: 99.4555  Volume: 175.75
  Hydrophobic surface: 270.317  Hydrophilic surface: 99.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02844093
PUBCHEM-ZINC02002141