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


PUBCHEM-ZINC02018460

 MMsINC code: MMs02854104
Type: Neutral
Formula: C24H28N2O
SMILES:   O=C(\N=C(/C(N1CCCCC1)(C)C)\c1ccccc1)\C=C\c1ccccc1
InChI:   InChI=1/C24H28N2O/c1-24(2,26-18-10-5-11-19-26)23(21-14-8-4-9-15-21)25-22(27)17-16-20-12-6-3-7-13-20/h3-4,6-9,12-17H,5,10-11,18-19H2,1-2H3/b17-16+,25-23+

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)=119.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.501 g/mol  logS: -5.75205  SlogP: 4.9802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121823  Sterimol/B1: 2.72791  Sterimol/B2: 3.17889  Sterimol/B3: 6.10391
  Sterimol/B4: 8.71592  Sterimol/L: 17.8372 
 
 Surface and Volume Properties
  Accessible surface: 647.482  Positive charged surface: 413.302  Negative charged surface: 234.18  Volume: 381.5
  Hydrophobic surface: 603.747  Hydrophilic surface: 43.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02854105
PUBCHEM-ZINC02018460