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


ENAMINE-ZINC02639121

 MMsINC code: MMs01267849
Type: Neutral
Formula: C11H17NO2
SMILES:   OC(CNC(C)c1ccccc1)CO
InChI:   InChI=1/C11H17NO2/c1-9(12-7-11(14)8-13)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,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)=47.3981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.262 g/mol  logS: -1.04751  SlogP: 0.7859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11552  Sterimol/B1: 2.24417  Sterimol/B2: 2.36567  Sterimol/B3: 4.56447
  Sterimol/B4: 5.65298  Sterimol/L: 14.1727 
 
 Surface and Volume Properties
  Accessible surface: 435.013  Positive charged surface: 290.48  Negative charged surface: 144.534  Volume: 207.375
  Hydrophobic surface: 315.294  Hydrophilic surface: 119.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01267850
ENAMINE-ZINC02639121