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


PUBCHEM-ZINC04222205

 MMsINC code: MMs03102606
Type: Neutral
Formula: C26H24N4O4
SMILES:   O(C)c1ccc(cc1)-c1cc2c(NC(=O)C3N(CCC(NC(=O)c4ccncc4)C3)C2=O)c
c1
InChI:   InChI=1/C26H24N4O4/c1-34-20-5-2-16(3-6-20)18-4-7-22-21(14-18)26(33)30-13-10-19(15-23(30)25(32)29-22)28-24(31)17-8-11-27-12-9-17/h2-9,11-12,14,19,23H,10,13,15H2,1H3,(H,28,31)(H,29,32)/t19-,23-/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)=138.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.502 g/mol  logS: -5.48742  SlogP: 3.1125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439169  Sterimol/B1: 2.12005  Sterimol/B2: 4.39223  Sterimol/B3: 4.48334
  Sterimol/B4: 8.26304  Sterimol/L: 23.4076 
 
 Surface and Volume Properties
  Accessible surface: 737.994  Positive charged surface: 475.45  Negative charged surface: 250.615  Volume: 423
  Hydrophobic surface: 586.663  Hydrophilic surface: 151.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.