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


ASINEX-ZINC03015524

 MMsINC code: MMs00283584
Type: Neutral
Formula: C17H23N3O3
SMILES:   OC=1c2c(N(C)C(=O)C=1C(=O)NCCN(CC)CC)cccc2
InChI:   InChI=1/C17H23N3O3/c1-4-20(5-2)11-10-18-16(22)14-15(21)12-8-6-7-9-13(12)19(3)17(14)23/h6-9,21H,4-5,10-11H2,1-3H3,(H,18,22)

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)=69.7964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.389 g/mol  logS: -2.51775  SlogP: 1.3901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417844  Sterimol/B1: 2.35937  Sterimol/B2: 2.75011  Sterimol/B3: 4.5217
  Sterimol/B4: 7.1014  Sterimol/L: 17.3132 
 
 Surface and Volume Properties
  Accessible surface: 591.368  Positive charged surface: 410.427  Negative charged surface: 180.941  Volume: 313.75
  Hydrophobic surface: 437.6  Hydrophilic surface: 153.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00283585
ASINEX-ZINC03015524