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


CHEMDIV-ZINC06808684

 MMsINC code: MMs01036212
Type: Neutral
Formula: C24H27N3O2
SMILES:   O=C1N(CC(=O)Nc2ccc(cc2)CC)C2(N=C1c1ccccc1)CCCCC2
InChI:   InChI=1/C24H27N3O2/c1-2-18-11-13-20(14-12-18)25-21(28)17-27-23(29)22(19-9-5-3-6-10-19)26-24(27)15-7-4-8-16-24/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3,(H,25,28)

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)=94.1854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.499 g/mol  logS: -6.51265  SlogP: 4.17937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842792  Sterimol/B1: 3.71064  Sterimol/B2: 4.79091  Sterimol/B3: 4.79129
  Sterimol/B4: 7.68358  Sterimol/L: 18.5084 
 
 Surface and Volume Properties
  Accessible surface: 686.971  Positive charged surface: 446.505  Negative charged surface: 240.466  Volume: 390.75
  Hydrophobic surface: 600.419  Hydrophilic surface: 86.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.