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


PUBCHEM-ZINC01469607

 MMsINC code: MMs02810455
Type: Neutral
Formula: C15H25N3O2
SMILES:   O(C(C)C)CC(O)CN1CCN(CC1)c1ncccc1
InChI:   InChI=1/C15H25N3O2/c1-13(2)20-12-14(19)11-17-7-9-18(10-8-17)15-5-3-4-6-16-15/h3-6,13-14,19H,7-12H2,1-2H3/t14-/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)=120.209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.384 g/mol  logS: -1.00666  SlogP: 0.9895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363206  Sterimol/B1: 2.76314  Sterimol/B2: 3.10699  Sterimol/B3: 3.68926
  Sterimol/B4: 5.65533  Sterimol/L: 18.4108 
 
 Surface and Volume Properties
  Accessible surface: 569.9  Positive charged surface: 447.863  Negative charged surface: 122.038  Volume: 290.125
  Hydrophobic surface: 461.496  Hydrophilic surface: 108.404
 
 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


MMs02810456
PUBCHEM-ZINC01469607