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


PUBCHEM-ZINC01852300

 MMsINC code: MMs02826310
Type: Neutral
Formula: C15H23N3O
SMILES:   O1C(NN=C1CCN(CC)CC)c1ccc(cc1)C
InChI:   InChI=1/C15H23N3O/c1-4-18(5-2)11-10-14-16-17-15(19-14)13-8-6-12(3)7-9-13/h6-9,15,17H,4-5,10-11H2,1-3H3/t15-/m0/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)=66.236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.369 g/mol  logS: -2.49639  SlogP: 2.75432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0588546  Sterimol/B1: 2.45441  Sterimol/B2: 3.05843  Sterimol/B3: 3.97911
  Sterimol/B4: 6.55521  Sterimol/L: 16.4265 
 
 Surface and Volume Properties
  Accessible surface: 550.974  Positive charged surface: 381.65  Negative charged surface: 169.324  Volume: 279.625
  Hydrophobic surface: 441.422  Hydrophilic surface: 109.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02826311
PUBCHEM-ZINC01852300