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


PUBCHEM-ZINC02018647

 MMsINC code: MMs02854260
Type: Neutral
Formula: C11H15NO
SMILES:   O(C)c1ccc(cc1)C1CCC1N
InChI:   InChI=1/C11H15NO/c1-13-9-4-2-8(3-5-9)10-6-7-11(10)12/h2-5,10-11H,6-7,12H2,1H3/t10-,11+/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)=61.1739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 177.247 g/mol  logS: -1.58859  SlogP: 1.8999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113284  Sterimol/B1: 2.79109  Sterimol/B2: 3.20731  Sterimol/B3: 4.07889
  Sterimol/B4: 4.69085  Sterimol/L: 12.8387 
 
 Surface and Volume Properties
  Accessible surface: 400.69  Positive charged surface: 200.816  Negative charged surface: 81.395  Volume: 189.125
  Hydrophobic surface: 328.743  Hydrophilic surface: 71.947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02854261
PUBCHEM-ZINC02018647