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


CHEMDIV-ZINC03039198

 MMsINC code: MMs00906619
Type: Neutral
Formula: C25H30N2O2
SMILES:   O=C1N(CC(=O)N(Cc2ccccc2)C1c1ccc(cc1)C)C1CCCCCC1
InChI:   InChI=1/C25H30N2O2/c1-19-13-15-21(16-14-19)24-25(29)26(22-11-7-2-3-8-12-22)18-23(28)27(24)17-20-9-5-4-6-10-20/h4-6,9-10,13-16,22,24H,2-3,7-8,11-12,17-18H2,1H3/t24-/m1/s1

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)=141.983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.527 g/mol  logS: -5.86862  SlogP: 4.99182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118528  Sterimol/B1: 2.3279  Sterimol/B2: 3.38635  Sterimol/B3: 4.75619
  Sterimol/B4: 8.87794  Sterimol/L: 16.3218 
 
 Surface and Volume Properties
  Accessible surface: 620.898  Positive charged surface: 435.557  Negative charged surface: 185.341  Volume: 398.75
  Hydrophobic surface: 563.464  Hydrophilic surface: 57.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.