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


PUBCHEM-ZINC01853593

 MMsINC code: MMs02827148
Type: Neutral
Formula: C24H29N3O2
SMILES:   O=C1N(C)C(C(=O)NCCCN(CC)CC)=C(c2c1cccc2)c1ccccc1
InChI:   InChI=1/C24H29N3O2/c1-4-27(5-2)17-11-16-25-23(28)22-21(18-12-7-6-8-13-18)19-14-9-10-15-20(19)24(29)26(22)3/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(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)=90.3381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.515 g/mol  logS: -4.82293  SlogP: 3.19699  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898319  Sterimol/B1: 2.32167  Sterimol/B2: 4.80539  Sterimol/B3: 6.75186
  Sterimol/B4: 7.31178  Sterimol/L: 18.1155 
 
 Surface and Volume Properties
  Accessible surface: 696.737  Positive charged surface: 484.716  Negative charged surface: 212.021  Volume: 403.125
  Hydrophobic surface: 588.762  Hydrophilic surface: 107.975
 
 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


MMs02827149
PUBCHEM-ZINC01853593