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


CHEMBRIDGE-ZINC00727280

 MMsINC code: MMs00642458
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(NC(C)c1ccccc1)c1ccc(cc1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-17(19-9-5-3-6-10-19)25-23(27)21-13-15-22(16-14-21)24(28)26-18(2)20-11-7-4-8-12-20/h3-18H,1-2H3,(H,25,27)(H,26,28)/t17-,18-/m1/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)=81.904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.86736  SlogP: 4.8596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.048468  Sterimol/B1: 2.037  Sterimol/B2: 4.67129  Sterimol/B3: 5.94846
  Sterimol/B4: 6.20379  Sterimol/L: 19.2449 
 
 Surface and Volume Properties
  Accessible surface: 695.747  Positive charged surface: 379.075  Negative charged surface: 316.672  Volume: 383.5
  Hydrophobic surface: 587.396  Hydrophilic surface: 108.351
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.