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


PUBCHEM-ZINC02019618

 MMsINC code: MMs02855227
Type: Neutral
Formula: C10H15NO
SMILES:   O(CCN(C)C)c1ccccc1
InChI:   InChI=1/C10H15NO/c1-11(2)8-9-12-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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)=47.69 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.33315  SlogP: 1.627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879797  Sterimol/B1: 2.38534  Sterimol/B2: 2.95528  Sterimol/B3: 4.55483
  Sterimol/B4: 4.60816  Sterimol/L: 12.8349 
 
 Surface and Volume Properties
  Accessible surface: 397.77  Positive charged surface: 304.666  Negative charged surface: 93.1036  Volume: 183.75
  Hydrophobic surface: 391.796  Hydrophilic surface: 5.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02855228
PUBCHEM-ZINC02019618