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


PUBCHEM-ZINC06042520

 MMsINC code: MMs03509278
Type: Neutral
Formula: C24H28N2O
SMILES:   O=C(NC(CCCCC)C)c1c2c(nc(-c3ccccc3)c1C)cccc2
InChI:   InChI=1/C24H28N2O/c1-4-5-7-12-17(2)25-24(27)22-18(3)23(19-13-8-6-9-14-19)26-21-16-11-10-15-20(21)22/h6,8-11,13-17H,4-5,7,12H2,1-3H3,(H,25,27)/t17-/m0/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)=86.0452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.501 g/mol  logS: -7.07705  SlogP: 5.90882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726705  Sterimol/B1: 2.54119  Sterimol/B2: 4.30893  Sterimol/B3: 5.12388
  Sterimol/B4: 9.70669  Sterimol/L: 15.7029 
 
 Surface and Volume Properties
  Accessible surface: 669.185  Positive charged surface: 415.56  Negative charged surface: 245.755  Volume: 382.625
  Hydrophobic surface: 579.087  Hydrophilic surface: 90.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.