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


AURORAFEINCHEMIE-ZINC02104227

 MMsINC code: MMs00450048
Type: Neutral
Formula: C17H26N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCc1ccccc1)C)CC(C)C
InChI:   InChI=1/C17H26N2O3/c1-12(2)11-15(16(20)21)19-17(22)18-13(3)9-10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11H2,1-3H3,(H,20,21)(H2,18,19,22)/t13-,15+/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)=22.2129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.406 g/mol  logS: -3.51794  SlogP: 2.80617  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107846  Sterimol/B1: 2.21826  Sterimol/B2: 3.37527  Sterimol/B3: 5.80132
  Sterimol/B4: 6.90791  Sterimol/L: 17.2142 
 
 Surface and Volume Properties
  Accessible surface: 603.51  Positive charged surface: 389.025  Negative charged surface: 214.486  Volume: 316.25
  Hydrophobic surface: 417.275  Hydrophilic surface: 186.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00450049
AURORAFEINCHEMIE-ZINC02104227