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


ASINEX-ZINC02380319

 MMsINC code: MMs00270593
Type: Neutral
Formula: C15H24N2O2
SMILES:   O1CCN(CC1)CCCNCc1ccccc1OC
InChI:   InChI=1/C15H24N2O2/c1-18-15-6-3-2-5-14(15)13-16-7-4-8-17-9-11-19-12-10-17/h2-3,5-6,16H,4,7-13H2,1H3

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)=61.2216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -1.5669  SlogP: 1.7735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729122  Sterimol/B1: 2.41301  Sterimol/B2: 3.49822  Sterimol/B3: 3.88632
  Sterimol/B4: 7.32744  Sterimol/L: 16.7301 
 
 Surface and Volume Properties
  Accessible surface: 553.45  Positive charged surface: 457.718  Negative charged surface: 95.7323  Volume: 281.25
  Hydrophobic surface: 519.293  Hydrophilic surface: 34.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs00270594
ASINEX-ZINC02380319