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


CHEMDIV-ZINC06720408

 MMsINC code: MMs00999696
Type: Neutral
Formula: C24H26N2O3
SMILES:   O(C)c1ccc(cc1)C1N(c2c(NC3=C1C(=O)CCC3)cccc2)C(=O)C(C)C
InChI:   InChI=1/C24H26N2O3/c1-15(2)24(28)26-20-9-5-4-7-18(20)25-19-8-6-10-21(27)22(19)23(26)16-11-13-17(29-3)14-12-16/h4-5,7,9,11-15,23,25H,6,8,10H2,1-3H3/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)=151.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -4.68222  SlogP: 4.9536  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.360276  Sterimol/B1: 2.15978  Sterimol/B2: 2.52044  Sterimol/B3: 8.40649
  Sterimol/B4: 9.5413  Sterimol/L: 14.4999 
 
 Surface and Volume Properties
  Accessible surface: 623.91  Positive charged surface: 437.166  Negative charged surface: 186.744  Volume: 379
  Hydrophobic surface: 521.89  Hydrophilic surface: 102.02
 
 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.