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


ASINEX-ZINC02059310

 MMsINC code: MMs00261830
Type: Neutral
Formula: C17H21NO
SMILES:   O(C)c1cc(ccc1)CCNCc1ccc(cc1)C
InChI:   InChI=1/C17H21NO/c1-14-6-8-16(9-7-14)13-18-11-10-15-4-3-5-17(12-15)19-2/h3-9,12,18H,10-11,13H2,1-2H3

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)=56.9928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.361 g/mol  logS: -3.47905  SlogP: 3.60229  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0257126  Sterimol/B1: 2.63411  Sterimol/B2: 3.66173  Sterimol/B3: 3.75833
  Sterimol/B4: 4.59504  Sterimol/L: 18.435 
 
 Surface and Volume Properties
  Accessible surface: 561.071  Positive charged surface: 381.757  Negative charged surface: 179.313  Volume: 279.75
  Hydrophobic surface: 529.008  Hydrophilic surface: 32.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00261831
ASINEX-ZINC02059310