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


NCID-ZINC01640056

 MMsINC code: MMs02282166
Type: Neutral
Formula: C30H34N3+
SMILES:   [NH2+](Cc1ccccc1)CCCCCCn1c2c(c3c1cccc3)c(c1c(ccnc1)c2C)C
InChI:   InChI=1/C30H33N3/c1-22-27-21-32-18-16-25(27)23(2)30-29(22)26-14-8-9-15-28(26)33(30)19-11-4-3-10-17-31-20-24-12-6-5-7-13-24/h5-9,12-16,18,21,31H,3-4,10-11,17,19-20H2,1-2H3/p+1

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)=88.9565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 436.623 g/mol  logS: -6.98713  SlogP: 6.81634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191975  Sterimol/B1: 2.95841  Sterimol/B2: 3.97592  Sterimol/B3: 4.80627
  Sterimol/B4: 9.27167  Sterimol/L: 22.8634 
 
 Surface and Volume Properties
  Accessible surface: 791.283  Positive charged surface: 529.52  Negative charged surface: 243.023  Volume: 470
  Hydrophobic surface: 740.879  Hydrophilic surface: 50.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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


MMs02282167
NCID-ZINC01640056