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


COMGENEX-ZINC06714036

 MMsINC code: MMs01192615
Type: Neutral
Formula: C26H33N3O2
SMILES:   O=C(N1CCCC1)c1cc(NC(=O)CCCCC)ccc1N1CCc2c(C1)cccc2
InChI:   InChI=1/C26H33N3O2/c1-2-3-4-11-25(30)27-22-12-13-24(23(18-22)26(31)28-15-7-8-16-28)29-17-14-20-9-5-6-10-21(20)19-29/h5-6,9-10,12-13,18H,2-4,7-8,11,14-17,19H2,1H3,(H,27,30)

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)=155.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.569 g/mol  logS: -5.81346  SlogP: 5.27047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495685  Sterimol/B1: 3.91734  Sterimol/B2: 4.00425  Sterimol/B3: 4.1992
  Sterimol/B4: 8.54326  Sterimol/L: 21.6303 
 
 Surface and Volume Properties
  Accessible surface: 760.078  Positive charged surface: 557.342  Negative charged surface: 202.736  Volume: 428.75
  Hydrophobic surface: 668.952  Hydrophilic surface: 91.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.