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


CHEMDIV-ZINC05199001

 MMsINC code: MMs00995070
Type: Neutral
Formula: C24H28N2O4
SMILES:   O=C1N(C(=O)C2C1CC(CC2)C)c1ccc(N2C(=O)C3C(CCC(C3)C)C2=O)cc1
InChI:   InChI=1/C24H28N2O4/c1-13-3-9-17-19(11-13)23(29)25(21(17)27)15-5-7-16(8-6-15)26-22(28)18-10-4-14(2)12-20(18)24(26)30/h5-8,13-14,17-20H,3-4,9-12H2,1-2H3/t13-,14+,17+,18-,19-,20+

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)=88.2194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -5.87138  SlogP: 3.5378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0449414  Sterimol/B1: 2.63563  Sterimol/B2: 2.80934  Sterimol/B3: 5.06072
  Sterimol/B4: 5.59175  Sterimol/L: 19.8021 
 
 Surface and Volume Properties
  Accessible surface: 652.031  Positive charged surface: 437.23  Negative charged surface: 214.801  Volume: 383.75
  Hydrophobic surface: 500.823  Hydrophilic surface: 151.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.