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


PUBCHEM-ZINC03614028

 MMsINC code: MMs03022570
Type: Neutral
Formula: C11H17NO2
SMILES:   O(C)c1cc(C)c(OC)cc1CCN
InChI:   InChI=1/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3

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)=51.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.3725  SlogP: 1.51339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077623  Sterimol/B1: 2.33676  Sterimol/B2: 3.21215  Sterimol/B3: 4.33175
  Sterimol/B4: 6.20259  Sterimol/L: 11.5322 
 
 Surface and Volume Properties
  Accessible surface: 435.155  Positive charged surface: 362.355  Negative charged surface: 72.8004  Volume: 204.625
  Hydrophobic surface: 363.055  Hydrophilic surface: 72.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03022571
PUBCHEM-ZINC03614028