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


ASINEX-ZINC02734060

 MMsINC code: MMs00276960
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(C)c1cc(ccc1)C(=O)NCCCN(CC)CC
InChI:   InChI=1/C15H24N2O2/c1-4-17(5-2)11-7-10-16-15(18)13-8-6-9-14(12-13)19-3/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,16,18)

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)=46.6263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -2.33547  SlogP: 2.1569  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300501  Sterimol/B1: 2.1876  Sterimol/B2: 2.41243  Sterimol/B3: 4.5569
  Sterimol/B4: 6.26428  Sterimol/L: 18.0506 
 
 Surface and Volume Properties
  Accessible surface: 559.867  Positive charged surface: 414.027  Negative charged surface: 145.84  Volume: 283.625
  Hydrophobic surface: 461.836  Hydrophilic surface: 98.031
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00276961
ASINEX-ZINC02734060