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


NCID-ZINC04896033

 MMsINC code: MMs02413181
Type: Neutral
Formula: C28H25N3
SMILES:   [nH]1c2c(cccc2)c(C)c1C(c1[nH]c2c(cccc2)c1C)c1[nH]c2c(cccc2)c
1C
InChI:   InChI=1/C28H25N3/c1-16-19-10-4-7-13-22(19)29-26(16)25(27-17(2)20-11-5-8-14-23(20)30-27)28-18(3)21-12-6-9-15-24(21)31-28/h4-15,25,29-31H,1-3H3

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)=90.0096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.529 g/mol  logS: -6.64014  SlogP: 7.23596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.470496  Sterimol/B1: 1.96962  Sterimol/B2: 4.58253  Sterimol/B3: 7.28232
  Sterimol/B4: 10.0144  Sterimol/L: 14.6665 
 
 Surface and Volume Properties
  Accessible surface: 682.008  Positive charged surface: 352.655  Negative charged surface: 314.055  Volume: 415.375
  Hydrophobic surface: 664.744  Hydrophilic surface: 17.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 0  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.