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


NCID-ZINC05842034

 MMsINC code: MMs02505831
Type: Neutral
Formula: C28H36N4O4
SMILES:   O=C1c2c(ccc(NC(=O)CCN(CC)CC)c2)C(=O)c2c1ccc(NC(=O)CCN(CC)CC)
c2
InChI:   InChI=1/C28H36N4O4/c1-5-31(6-2)15-13-25(33)29-19-9-11-21-23(17-19)27(35)22-12-10-20(18-24(22)28(21)36)30-26(34)14-16-32(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,29,33)(H,30,34)

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)=130.449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.62 g/mol  logS: -5.15764  SlogP: 3.8028  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221436  Sterimol/B1: 2.53845  Sterimol/B2: 4.97557  Sterimol/B3: 5.2703
  Sterimol/B4: 6.02582  Sterimol/L: 26.6994 
 
 Surface and Volume Properties
  Accessible surface: 857.231  Positive charged surface: 593.847  Negative charged surface: 263.384  Volume: 486
  Hydrophobic surface: 613.085  Hydrophilic surface: 244.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02505832
NCID-ZINC05842034