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


CHEMDIV-ZINC06805162

 MMsINC code: MMs01032362
Type: Neutral
Formula: C22H24N4O4
SMILES:   O(C)c1ccccc1NC(=O)CN1c2ncccc2C(=O)N(C2CCCCC2)C1=O
InChI:   InChI=1/C22H24N4O4/c1-30-18-12-6-5-11-17(18)24-19(27)14-25-20-16(10-7-13-23-20)21(28)26(22(25)29)15-8-3-2-4-9-15/h5-7,10-13,15H,2-4,8-9,14H2,1H3,(H,24,27)

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)=75.8386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.458 g/mol  logS: -4.29699  SlogP: 3.4438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0807431  Sterimol/B1: 2.63873  Sterimol/B2: 4.85006  Sterimol/B3: 5.1447
  Sterimol/B4: 6.85496  Sterimol/L: 17.6667 
 
 Surface and Volume Properties
  Accessible surface: 673.064  Positive charged surface: 484.406  Negative charged surface: 188.658  Volume: 379.875
  Hydrophobic surface: 577.727  Hydrophilic surface: 95.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.