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


NCID-ZINC01634096

 MMsINC code: MMs02278150
Type: Neutral
Formula: C16H19NO
SMILES:   O(CCN(C)C)C1Cc2c3c1cccc3ccc2
InChI:   InChI=1/C16H19NO/c1-17(2)9-10-18-15-11-13-7-3-5-12-6-4-8-14(15)16(12)13/h3-8,15H,9-11H2,1-2H3/t15-/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)=80.6665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.334 g/mol  logS: -3.46072  SlogP: 3.11067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862095  Sterimol/B1: 2.68091  Sterimol/B2: 4.44409  Sterimol/B3: 4.75515
  Sterimol/B4: 5.31684  Sterimol/L: 14.0367 
 
 Surface and Volume Properties
  Accessible surface: 489.568  Positive charged surface: 357.977  Negative charged surface: 121.071  Volume: 257.375
  Hydrophobic surface: 484.56  Hydrophilic surface: 5.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02278151
NCID-ZINC01634096