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


ASINEX-ZINC04231288

 MMsINC code: MMs00320853
Type: Neutral
Formula: C23H34N4O3
SMILES:   O(C)c1cc2NC(=O)C(=Cc2cc1)CN(CCCN(C)C)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H34N4O3/c1-26(2)12-7-13-27(23(29)24-19-8-5-4-6-9-19)16-18-14-17-10-11-20(30-3)15-21(17)25-22(18)28/h10-11,14-15,19H,4-9,12-13,16H2,1-3H3,(H,24,29)(H,25,28)

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)=36.0809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.55 g/mol  logS: -3.75376  SlogP: 3.3267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688992  Sterimol/B1: 2.18701  Sterimol/B2: 2.99959  Sterimol/B3: 5.30767
  Sterimol/B4: 11.3478  Sterimol/L: 19.2766 
 
 Surface and Volume Properties
  Accessible surface: 735.503  Positive charged surface: 592.342  Negative charged surface: 143.161  Volume: 418.5
  Hydrophobic surface: 640.344  Hydrophilic surface: 95.159
 
 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


MMs00320854
ASINEX-ZINC04231288