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


ASINEX-ZINC03684349

 MMsINC code: MMs00289991
Type: Neutral
Formula: C26H29N3
SMILES:   n1(c2c(cc(cc2)CN2CCN(CC2)Cc2ccccc2)c2c1cccc2)CC
InChI:   InChI=1/C26H29N3/c1-2-29-25-11-7-6-10-23(25)24-18-22(12-13-26(24)29)20-28-16-14-27(15-17-28)19-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3

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)=105.301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.539 g/mol  logS: -5.42876  SlogP: 5.9314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106659  Sterimol/B1: 2.14034  Sterimol/B2: 5.10661  Sterimol/B3: 6.21054
  Sterimol/B4: 6.66468  Sterimol/L: 16.9606 
 
 Surface and Volume Properties
  Accessible surface: 695.662  Positive charged surface: 464.377  Negative charged surface: 221.971  Volume: 405.625
  Hydrophobic surface: 658.047  Hydrophilic surface: 37.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00289992
ASINEX-ZINC03684349