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


CHEMDIV-ZINC06725052

 MMsINC code: MMs01002138
Type: Neutral
Formula: C24H27N3O3
SMILES:   O1CCN(CC1)c1nc2c(cc(NC(=O)CCc3ccc(OC)cc3)cc2)c(c1)C
InChI:   InChI=1/C24H27N3O3/c1-17-15-23(27-11-13-30-14-12-27)26-22-9-6-19(16-21(17)22)25-24(28)10-5-18-3-7-20(29-2)8-4-18/h3-4,6-9,15-16H,5,10-14H2,1-2H3,(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)=154.174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.498 g/mol  logS: -4.94125  SlogP: 3.95969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169176  Sterimol/B1: 2.32674  Sterimol/B2: 2.88257  Sterimol/B3: 3.50368
  Sterimol/B4: 7.3834  Sterimol/L: 23.7539 
 
 Surface and Volume Properties
  Accessible surface: 715.45  Positive charged surface: 526.613  Negative charged surface: 184.167  Volume: 398.25
  Hydrophobic surface: 625.713  Hydrophilic surface: 89.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.