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


PUBCHEM-ZINC02073537

 MMsINC code: MMs02869621
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(Nc1cc(ccc1)C)c1cc(NC(=O)C(CC)c2ccccc2)ccc1
InChI:   InChI=1/C24H24N2O2/c1-3-22(18-10-5-4-6-11-18)24(28)26-21-14-8-12-19(16-21)23(27)25-20-13-7-9-17(2)15-20/h4-16,22H,3H2,1-2H3,(H,25,27)(H,26,28)/t22-/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)=116.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -6.57724  SlogP: 5.37962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372427  Sterimol/B1: 2.22012  Sterimol/B2: 3.50064  Sterimol/B3: 3.75972
  Sterimol/B4: 8.27492  Sterimol/L: 20.3499 
 
 Surface and Volume Properties
  Accessible surface: 689.452  Positive charged surface: 408.993  Negative charged surface: 280.459  Volume: 378.875
  Hydrophobic surface: 601.948  Hydrophilic surface: 87.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.