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


ASINEX-ZINC04908608

 MMsINC code: MMs00402572
Type: Neutral
Formula: C23H29N3O4
SMILES:   O(C)c1cc(ccc1OC)C(=O)NC1CCN(CC1)CC(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C23H29N3O4/c1-16-5-4-6-19(13-16)24-22(27)15-26-11-9-18(10-12-26)25-23(28)17-7-8-20(29-2)21(14-17)30-3/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,24,27)(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)=120.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.502 g/mol  logS: -4.55239  SlogP: 2.84512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705482  Sterimol/B1: 2.62359  Sterimol/B2: 4.16087  Sterimol/B3: 5.21882
  Sterimol/B4: 7.03275  Sterimol/L: 22.8871 
 
 Surface and Volume Properties
  Accessible surface: 737.723  Positive charged surface: 547.58  Negative charged surface: 190.143  Volume: 403.25
  Hydrophobic surface: 646.724  Hydrophilic surface: 90.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00402573
ASINEX-ZINC04908608