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


PUBCHEM-ZINC06168167

 MMsINC code: MMs03576683
Type: Neutral
Formula: C16H24N2O3
SMILES:   O(CC)C(=O)NC(CC(=O)NC(CC)C)c1ccccc1
InChI:   InChI=1/C16H24N2O3/c1-4-12(3)17-15(19)11-14(18-16(20)21-5-2)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11H2,1-3H3,(H,17,19)(H,18,20)/t12-,14+/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)=11.3509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.379 g/mol  logS: -2.84572  SlogP: 2.8741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141991  Sterimol/B1: 2.16754  Sterimol/B2: 5.92875  Sterimol/B3: 6.30704
  Sterimol/B4: 6.38462  Sterimol/L: 13.6505 
 
 Surface and Volume Properties
  Accessible surface: 597.155  Positive charged surface: 406.346  Negative charged surface: 190.809  Volume: 302.875
  Hydrophobic surface: 458  Hydrophilic surface: 139.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.