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


CHEMDIV-ZINC02724200

 MMsINC code: MMs00886898
Type: Neutral
Formula: C24H22N2O3
SMILES:   O(C)c1ccccc1C(=O)N1CC(=O)Nc2c(cc(cc2)C)C1c1ccccc1
InChI:   InChI=1/C24H22N2O3/c1-16-12-13-20-19(14-16)23(17-8-4-3-5-9-17)26(15-22(27)25-20)24(28)18-10-6-7-11-21(18)29-2/h3-14,23H,15H2,1-2H3,(H,25,27)/t23-/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)=158.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.451 g/mol  logS: -5.83605  SlogP: 4.28302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.342807  Sterimol/B1: 2.28652  Sterimol/B2: 3.79302  Sterimol/B3: 7.03697
  Sterimol/B4: 9.61141  Sterimol/L: 13.0298 
 
 Surface and Volume Properties
  Accessible surface: 612.602  Positive charged surface: 366.738  Negative charged surface: 245.864  Volume: 372.875
  Hydrophobic surface: 512.487  Hydrophilic surface: 100.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.