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


CHEMBRIDGE-ZINC04894589

 MMsINC code: MMs00809480
Type: Neutral
Formula: C24H26N2O3
SMILES:   O=C1N(C(=O)C2C1CC(CC2)C)c1cc(ccc1)C(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C24H26N2O3/c1-14-8-10-21(16(3)11-14)25-22(27)17-5-4-6-18(13-17)26-23(28)19-9-7-15(2)12-20(19)24(26)29/h4-6,8,10-11,13,15,19-20H,7,9,12H2,1-3H3,(H,25,27)/t15-,19-,20-/m0/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)=107.263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -6.23251  SlogP: 4.48134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174642  Sterimol/B1: 2.19355  Sterimol/B2: 3.07584  Sterimol/B3: 3.13531
  Sterimol/B4: 8.15747  Sterimol/L: 21.0906 
 
 Surface and Volume Properties
  Accessible surface: 675.32  Positive charged surface: 417.092  Negative charged surface: 258.228  Volume: 384.75
  Hydrophobic surface: 562.085  Hydrophilic surface: 113.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.