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


ASINEX-ZINC04965634

 MMsINC code: MMs00414616
Type: Neutral
Formula: C20H29N3O3
SMILES:   O(C)c1ccccc1NC(=O)C1CCCN(C1)C(=O)NC1CCCCC1
InChI:   InChI=1/C20H29N3O3/c1-26-18-12-6-5-11-17(18)22-19(24)15-8-7-13-23(14-15)20(25)21-16-9-3-2-4-10-16/h5-6,11-12,15-16H,2-4,7-10,13-14H2,1H3,(H,21,25)(H,22,24)/t15-/m1/s1

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)=48.7616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.47 g/mol  logS: -3.32515  SlogP: 3.388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0515576  Sterimol/B1: 2.17487  Sterimol/B2: 2.24757  Sterimol/B3: 4.87053
  Sterimol/B4: 9.24554  Sterimol/L: 18.8695 
 
 Surface and Volume Properties
  Accessible surface: 660.746  Positive charged surface: 505.909  Negative charged surface: 154.837  Volume: 358
  Hydrophobic surface: 593.068  Hydrophilic surface: 67.678
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.