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


CHEMSTAR-ZINC03146716

 MMsINC code: MMs01084126
Type: Neutral
Formula: C30H35N3
SMILES:   [nH]1cc(c2c1cccc2)CCCN1CCN(CC1)C(c1ccc(cc1)C)c1ccc(cc1)C
InChI:   InChI=1/C30H35N3/c1-23-9-13-25(14-10-23)30(26-15-11-24(2)12-16-26)33-20-18-32(19-21-33)17-5-6-27-22-31-29-8-4-3-7-28(27)29/h3-4,7-16,22,30-31H,5-6,17-21H2,1-2H3

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)=120.883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.631 g/mol  logS: -6.33984  SlogP: 6.22001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606558  Sterimol/B1: 2.08064  Sterimol/B2: 3.54981  Sterimol/B3: 4.38531
  Sterimol/B4: 11.0843  Sterimol/L: 20.4902 
 
 Surface and Volume Properties
  Accessible surface: 795.421  Positive charged surface: 535.66  Negative charged surface: 255.018  Volume: 468.875
  Hydrophobic surface: 747.125  Hydrophilic surface: 48.296
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01084127
CHEMSTAR-ZINC03146716