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


ENAMINE-ZINC03457943

 MMsINC code: MMs01455275
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(=O)NCCC)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C14H23N3O3/c1-3-8-15-11(18)9-17-12(19)14(16-13(17)20)6-4-10(2)5-7-14/h10H,3-9H2,1-2H3,(H,15,18)(H,16,20)/t10-,14+

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)=11.0362 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -2.7224  SlogP: 1.0133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473412  Sterimol/B1: 2.81714  Sterimol/B2: 3.77547  Sterimol/B3: 4.15496
  Sterimol/B4: 5.02381  Sterimol/L: 17.9352 
 
 Surface and Volume Properties
  Accessible surface: 529.465  Positive charged surface: 379.515  Negative charged surface: 149.95  Volume: 272.625
  Hydrophobic surface: 357.667  Hydrophilic surface: 171.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.