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


NCID-ZINC01675497

 MMsINC code: MMs02310841
Type: Neutral
Formula: C16H26N2O
SMILES:   OC(CCN(C)C)(C1NCCCC1)c1ccccc1
InChI:   InChI=1/C16H26N2O/c1-18(2)13-11-16(19,14-8-4-3-5-9-14)15-10-6-7-12-17-15/h3-5,8-9,15,17,19H,6-7,10-13H2,1-2H3/t15-,16-/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)=72.3074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.397 g/mol  logS: -1.77665  SlogP: 2.2795  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161244  Sterimol/B1: 1.99578  Sterimol/B2: 2.96587  Sterimol/B3: 5.25867
  Sterimol/B4: 7.87111  Sterimol/L: 13.4937 
 
 Surface and Volume Properties
  Accessible surface: 511.836  Positive charged surface: 409.275  Negative charged surface: 102.561  Volume: 284.25
  Hydrophobic surface: 473.455  Hydrophilic surface: 38.381
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02310842
NCID-ZINC01675497