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


AURORAFEINCHEMIE-ZINC02400377

 MMsINC code: MMs00453077
Type: Neutral
Formula: C20H24N2O3
SMILES:   OC(=O)C(NC(=O)NCC(c1ccccc1)c1ccccc1)C(C)C
InChI:   InChI=1/C20H24N2O3/c1-14(2)18(19(23)24)22-20(25)21-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3,(H,23,24)(H2,21,22,25)/t18-/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)=73.8256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.423 g/mol  logS: -3.80275  SlogP: 3.2269  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.139102  Sterimol/B1: 3.15302  Sterimol/B2: 3.86756  Sterimol/B3: 5.48664
  Sterimol/B4: 6.81184  Sterimol/L: 16.1362 
 
 Surface and Volume Properties
  Accessible surface: 614.781  Positive charged surface: 381.329  Negative charged surface: 233.452  Volume: 339.25
  Hydrophobic surface: 452.317  Hydrophilic surface: 162.464
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs00453078
AURORAFEINCHEMIE-ZINC02400377