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


PUBCHEM-ZINC05419454

 MMsINC code: MMs03263273
Type: Neutral
Formula: C24H17N
SMILES:   n1c2c(ccc3c2cccc3)c(c2cc(ccc12)-c1ccccc1)C
InChI:   InChI=1/C24H17N/c1-16-20-13-11-18-9-5-6-10-21(18)24(20)25-23-14-12-19(15-22(16)23)17-7-3-2-4-8-17/h2-15H,1H3

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)=125.268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.407 g/mol  logS: -8.59828  SlogP: 6.51662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00202218  Sterimol/B1: 2.10994  Sterimol/B2: 2.11228  Sterimol/B3: 2.5121
  Sterimol/B4: 7.44037  Sterimol/L: 18.4125 
 
 Surface and Volume Properties
  Accessible surface: 561.024  Positive charged surface: 272.568  Negative charged surface: 256.022  Volume: 326
  Hydrophobic surface: 541.153  Hydrophilic surface: 19.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.