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


ASINEX-ZINC04776044

 MMsINC code: MMs00370320
Type: Neutral
Formula: C10H15NO
SMILES:   OCC(NCc1ccccc1)C
InChI:   InChI=1/C10H15NO/c1-9(8-12)11-7-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-/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)=31.2653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.25005  SlogP: 1.4234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111698  Sterimol/B1: 2.26098  Sterimol/B2: 3.05275  Sterimol/B3: 3.89207
  Sterimol/B4: 4.93735  Sterimol/L: 12.1885 
 
 Surface and Volume Properties
  Accessible surface: 399.731  Positive charged surface: 274.326  Negative charged surface: 125.406  Volume: 183.75
  Hydrophobic surface: 317.731  Hydrophilic surface: 82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00370321
ASINEX-ZINC04776044