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


NCID-ZINC01571226

 MMsINC code: MMs02231397
Type: Neutral
Formula: C17H21NO
SMILES:   OC(CN(Cc1ccccc1)CC)c1ccccc1
InChI:   InChI=1/C17H21NO/c1-2-18(13-15-9-5-3-6-10-15)14-17(19)16-11-7-4-8-12-16/h3-12,17,19H,2,13-14H2,1H3/t17-/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)=77.9995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.361 g/mol  logS: -3.1489  SlogP: 3.604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0957235  Sterimol/B1: 2.37873  Sterimol/B2: 3.34795  Sterimol/B3: 3.68739
  Sterimol/B4: 6.61846  Sterimol/L: 16.0677 
 
 Surface and Volume Properties
  Accessible surface: 519.584  Positive charged surface: 315.833  Negative charged surface: 203.752  Volume: 278.125
  Hydrophobic surface: 461.288  Hydrophilic surface: 58.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02231398
NCID-ZINC01571226