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


IFLAB-ZINC03007733

 MMsINC code: MMs02004551
Type: Neutral
Formula: C24H25N3O4
SMILES:   O1CCN(CC1)C(=O)Cn1cc(c2c1cccc2)C(=O)C(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C24H25N3O4/c1-2-17-7-9-18(10-8-17)25-24(30)23(29)20-15-27(21-6-4-3-5-19(20)21)16-22(28)26-11-13-31-14-12-26/h3-10,15H,2,11-14,16H2,1H3,(H,25,30)

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)=124.432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.481 g/mol  logS: -5.21733  SlogP: 3.15027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434014  Sterimol/B1: 2.51437  Sterimol/B2: 3.68914  Sterimol/B3: 4.71209
  Sterimol/B4: 10.1359  Sterimol/L: 17.3598 
 
 Surface and Volume Properties
  Accessible surface: 722.424  Positive charged surface: 475.475  Negative charged surface: 242.402  Volume: 403.5
  Hydrophobic surface: 579.92  Hydrophilic surface: 142.504
 
 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.