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


PUBCHEM-ZINC02736503

 MMsINC code: MMs02913584
Type: Neutral
Formula: C26H24N2O
SMILES:   O=C(NCCCc1ccccc1)c1c2c(nc(-c3ccccc3)c1C)cccc2
InChI:   InChI=1/C26H24N2O/c1-19-24(26(29)27-18-10-13-20-11-4-2-5-12-20)22-16-8-9-17-23(22)28-25(19)21-14-6-3-7-15-21/h2-9,11-12,14-17H,10,13,18H2,1H3,(H,27,29)

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)=103.063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.491 g/mol  logS: -6.70634  SlogP: 5.57279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577008  Sterimol/B1: 3.24692  Sterimol/B2: 4.44375  Sterimol/B3: 4.86324
  Sterimol/B4: 8.49528  Sterimol/L: 19.1602 
 
 Surface and Volume Properties
  Accessible surface: 693.318  Positive charged surface: 397.763  Negative charged surface: 289.086  Volume: 390.625
  Hydrophobic surface: 641.061  Hydrophilic surface: 52.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.