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


PUBCHEM-ZINC05957987

 MMsINC code: MMs03460812
Type: Neutral
Formula: C11H17NO2
SMILES:   O(C)c1cc(ccc1O)CCN(C)C
InChI:   InChI=1/C11H17NO2/c1-12(2)7-6-9-4-5-10(13)11(8-9)14-3/h4-5,8,13H,6-7H2,1-3H3

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)=55.3865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.00623  SlogP: 1.50487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746834  Sterimol/B1: 2.3841  Sterimol/B2: 3.93223  Sterimol/B3: 4.04558
  Sterimol/B4: 5.17659  Sterimol/L: 12.5702 
 
 Surface and Volume Properties
  Accessible surface: 429.865  Positive charged surface: 357.101  Negative charged surface: 72.7642  Volume: 207.875
  Hydrophobic surface: 370.664  Hydrophilic surface: 59.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03460813
PUBCHEM-ZINC05957987