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


CHEMBRIDGE-ZINC04477519

 MMsINC code: MMs00770007
Type: Neutral
Formula: C11H15NO
SMILES:   Oc1cc(ccc1)CN1CCCC1
InChI:   InChI=1/C11H15NO/c13-11-5-3-4-10(8-11)9-12-6-1-2-7-12/h3-5,8,13H,1-2,6-7,9H2

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)=31.1987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.247 g/mol  logS: -1.44676  SlogP: 2.2544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125457  Sterimol/B1: 2.51692  Sterimol/B2: 3.19601  Sterimol/B3: 3.80438
  Sterimol/B4: 5.15777  Sterimol/L: 12.0646 
 
 Surface and Volume Properties
  Accessible surface: 398.464  Positive charged surface: 288.837  Negative charged surface: 109.628  Volume: 189.125
  Hydrophobic surface: 337.617  Hydrophilic surface: 60.847
 
 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


MMs00770008
CHEMBRIDGE-ZINC04477519