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


CHEMBRIDGE-ZINC02332530

 MMsINC code: MMs00707462
Type: Neutral
Formula: C25H24N2O2
SMILES:   O(C)c1cc2[nH]cc(c2cc1)CCNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H24N2O2/c1-29-21-12-13-22-20(17-27-23(22)16-21)14-15-26-25(28)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16-17,24,27H,14-15H2,1H3,(H,26,28)

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)=110.891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.479 g/mol  logS: -5.40459  SlogP: 4.66727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140461  Sterimol/B1: 3.5847  Sterimol/B2: 3.84942  Sterimol/B3: 6.77555
  Sterimol/B4: 7.28799  Sterimol/L: 18.1342 
 
 Surface and Volume Properties
  Accessible surface: 696.809  Positive charged surface: 444.86  Negative charged surface: 247.937  Volume: 388.75
  Hydrophobic surface: 609.094  Hydrophilic surface: 87.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.