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


NCID-ZINC01637811

 MMsINC code: MMs02280567
Type: Neutral
Formula: C11H17NO2
SMILES:   O(C)c1cc(cc(OC)c1)CC(N)C
InChI:   InChI=1/C11H17NO2/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3/h5-8H,4,12H2,1-3H3/t8-/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)=50.7069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.53924  SlogP: 1.59347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655337  Sterimol/B1: 3.09478  Sterimol/B2: 3.14992  Sterimol/B3: 4.29984
  Sterimol/B4: 5.27472  Sterimol/L: 11.9531 
 
 Surface and Volume Properties
  Accessible surface: 425.968  Positive charged surface: 339.399  Negative charged surface: 86.5693  Volume: 206.375
  Hydrophobic surface: 336.059  Hydrophilic surface: 89.909
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02280568
NCID-ZINC01637811