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


PUBCHEM-ZINC05296786

 MMsINC code: MMs03234917
Type: Neutral
Formula: C19H24N2O3
SMILES:   OC(=O)C1N(C(=O)CC)C(c2[nH]c3c(c2C1)cccc3)CC(C)C
InChI:   InChI=1/C19H24N2O3/c1-4-17(22)21-15(9-11(2)3)18-13(10-16(21)19(23)24)12-7-5-6-8-14(12)20-18/h5-8,11,15-16,20H,4,9-10H2,1-3H3,(H,23,24)/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)=201.521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.412 g/mol  logS: -3.8161  SlogP: 3.59847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105262  Sterimol/B1: 2.48674  Sterimol/B2: 4.59302  Sterimol/B3: 4.94595
  Sterimol/B4: 6.70057  Sterimol/L: 14.9737 
 
 Surface and Volume Properties
  Accessible surface: 558.62  Positive charged surface: 359.518  Negative charged surface: 193.431  Volume: 317.875
  Hydrophobic surface: 401.782  Hydrophilic surface: 156.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03234918
PUBCHEM-ZINC05296786