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


PUBCHEM-ZINC02009383

 MMsINC code: MMs02848255
Type: Neutral
Formula: C10H15NO
SMILES:   OC(C(N)C)c1ccc(cc1)C
InChI:   InChI=1/C10H15NO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8,10,12H,11H2,1-2H3/t8-,10+/m0/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)=48.8211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.236 g/mol  logS: -1.64839  SlogP: 1.47112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.087508  Sterimol/B1: 2.79048  Sterimol/B2: 3.39092  Sterimol/B3: 3.86089
  Sterimol/B4: 4.09925  Sterimol/L: 12.0171 
 
 Surface and Volume Properties
  Accessible surface: 378.07  Positive charged surface: 245.53  Negative charged surface: 132.54  Volume: 180.625
  Hydrophobic surface: 283.611  Hydrophilic surface: 94.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02848256
PUBCHEM-ZINC02009383