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


AURORAFEINCHEMIE-ZINC03437770

 MMsINC code: MMs00456307
Type: Neutral
Formula: C20H30N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NC1CCCCCC1)c1ccccc1C
InChI:   InChI=1/C20H30N2O2/c1-14(2)18(20(24)21-16-11-6-4-5-7-12-16)22-19(23)17-13-9-8-10-15(17)3/h8-10,13-14,16,18H,4-7,11-12H2,1-3H3,(H,21,24)(H,22,23)/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)=89.9395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.472 g/mol  logS: -4.89461  SlogP: 3.58842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0891761  Sterimol/B1: 2.14809  Sterimol/B2: 4.69258  Sterimol/B3: 5.34979
  Sterimol/B4: 5.96093  Sterimol/L: 17.1806 
 
 Surface and Volume Properties
  Accessible surface: 611.395  Positive charged surface: 417.826  Negative charged surface: 193.569  Volume: 349.875
  Hydrophobic surface: 536.806  Hydrophilic surface: 74.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.