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


ENAMINE-ZINC05797860

 MMsINC code: MMs01640205
Type: Neutral
Formula: C19H27N3O4
SMILES:   O(C)c1ccc(cc1)C1(NC(=O)N(CC(=O)NCCC(C)C)C1=O)CC
InChI:   InChI=1/C19H27N3O4/c1-5-19(14-6-8-15(26-4)9-7-14)17(24)22(18(25)21-19)12-16(23)20-11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,20,23)(H,21,25)/t19-/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)=54.1904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.442 g/mol  logS: -4.11374  SlogP: 2.3261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0622911  Sterimol/B1: 2.54499  Sterimol/B2: 4.19572  Sterimol/B3: 4.72023
  Sterimol/B4: 6.59832  Sterimol/L: 20.9495 
 
 Surface and Volume Properties
  Accessible surface: 643.676  Positive charged surface: 445.978  Negative charged surface: 197.698  Volume: 355
  Hydrophobic surface: 453.169  Hydrophilic surface: 190.507
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.