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


PUBCHEM-ZINC01379346

 MMsINC code: MMs02800567
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C(NC1CCCCC1C)C1N(CCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H33N3O2/c1-14-8-5-6-11-16(14)21-18(23)17-12-7-13-22(17)19(24)20-15-9-3-2-4-10-15/h14-17H,2-13H2,1H3,(H,20,24)(H,21,23)/t14-,16-,17-/m0/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)=31.8473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -3.36734  SlogP: 3.188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529942  Sterimol/B1: 2.95361  Sterimol/B2: 3.64468  Sterimol/B3: 5.64818
  Sterimol/B4: 6.30269  Sterimol/L: 16.3641 
 
 Surface and Volume Properties
  Accessible surface: 623.149  Positive charged surface: 501.333  Negative charged surface: 121.815  Volume: 349.5
  Hydrophobic surface: 560.827  Hydrophilic surface: 62.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.