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


PUBCHEM-ZINC06380338

 MMsINC code: MMs03694194
Type: Neutral
Formula: C19H29N3O3
SMILES:   OC1CN(N(CCC)C(=O)N(CCC)C1Cc1ccccc1)C(=O)C
InChI:   InChI=1/C19H29N3O3/c1-4-11-20-17(13-16-9-7-6-8-10-16)18(24)14-22(15(3)23)21(12-5-2)19(20)25/h6-10,17-18,24H,4-5,11-14H2,1-3H3/t17-,18-/m1/s1

Download   format file 
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)=133.355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.459 g/mol  logS: -2.41184  SlogP: 2.27967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252054  Sterimol/B1: 2.34572  Sterimol/B2: 3.71671  Sterimol/B3: 5.86649
  Sterimol/B4: 7.71083  Sterimol/L: 15.1619 
 
 Surface and Volume Properties
  Accessible surface: 563.258  Positive charged surface: 379.764  Negative charged surface: 183.494  Volume: 347.625
  Hydrophobic surface: 429.596  Hydrophilic surface: 133.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.