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


PUBCHEM-ZINC06050196

 MMsINC code: MMs03514806
Type: Neutral
Formula: C17H24N2O2
SMILES:   O(NC=1CC(N(C)C(C=1)(C)C)(C)C)C(=O)c1ccccc1
InChI:   InChI=1/C17H24N2O2/c1-16(2)11-14(12-17(3,4)19(16)5)18-21-15(20)13-9-7-6-8-10-13/h6-11,18H,12H2,1-5H3

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)=119.923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.391 g/mol  logS: -3.27276  SlogP: 3.1246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0815322  Sterimol/B1: 2.58678  Sterimol/B2: 3.47306  Sterimol/B3: 3.93545
  Sterimol/B4: 6.10734  Sterimol/L: 15.5322 
 
 Surface and Volume Properties
  Accessible surface: 541.572  Positive charged surface: 348.711  Negative charged surface: 192.861  Volume: 297.25
  Hydrophobic surface: 419.404  Hydrophilic surface: 122.168
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03514807
PUBCHEM-ZINC06050196