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


AURORAFEINCHEMIE-ZINC05450784

 MMsINC code: MMs00475428
Type: Neutral
Formula: C18H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCCCC1)Cc1ccccc1
InChI:   InChI=1/C18H26N2O3/c21-17(22)16(13-14-9-5-4-6-10-14)20-18(23)19-15-11-7-2-1-3-8-12-15/h4-6,9-10,15-16H,1-3,7-8,11-13H2,(H,21,22)(H2,19,20,23)/t16-/m1/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)=82.1392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.417 g/mol  logS: -3.93112  SlogP: 3.09437  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114721  Sterimol/B1: 2.55579  Sterimol/B2: 3.88847  Sterimol/B3: 3.98089
  Sterimol/B4: 9.0943  Sterimol/L: 14.4315 
 
 Surface and Volume Properties
  Accessible surface: 585.324  Positive charged surface: 383.011  Negative charged surface: 202.313  Volume: 318.75
  Hydrophobic surface: 458.47  Hydrophilic surface: 126.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00475429
AURORAFEINCHEMIE-ZINC05450784