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


NCID-ZINC04744451

 MMsINC code: MMs02399982
Type: Neutral
Formula: C16H33N3O3
SMILES:   O(CCCC)C(=O)N1CCN(CC1)CC(O)CN(CC)CC
InChI:   InChI=1/C16H33N3O3/c1-4-7-12-22-16(21)19-10-8-18(9-11-19)14-15(20)13-17(5-2)6-3/h15,20H,4-14H2,1-3H3/t15-/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)=65.8838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.458 g/mol  logS: -1.17464  SlogP: 1.2434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314081  Sterimol/B1: 2.86426  Sterimol/B2: 3.01338  Sterimol/B3: 4.10277
  Sterimol/B4: 5.00333  Sterimol/L: 21.3207 
 
 Surface and Volume Properties
  Accessible surface: 646.064  Positive charged surface: 533.522  Negative charged surface: 112.542  Volume: 337.5
  Hydrophobic surface: 515.328  Hydrophilic surface: 130.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02399983
NCID-ZINC04744451