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


AURORAFEINCHEMIE-ZINC03352316

 MMsINC code: MMs00456069
Type: Neutral
Formula: C17H26N2O3
SMILES:   O(C(=O)C(NC(=O)c1ccc(cc1)C)C(C)C)CCN(C)C
InChI:   InChI=1/C17H26N2O3/c1-12(2)15(17(21)22-11-10-19(4)5)18-16(20)14-8-6-13(3)7-9-14/h6-9,12,15H,10-11H2,1-5H3,(H,18,20)/t15-/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)=87.4773 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.406 g/mol  logS: -3.04174  SlogP: 1.85422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0434881  Sterimol/B1: 2.64622  Sterimol/B2: 3.27287  Sterimol/B3: 3.78346
  Sterimol/B4: 6.0512  Sterimol/L: 18.4727 
 
 Surface and Volume Properties
  Accessible surface: 596.341  Positive charged surface: 435.602  Negative charged surface: 160.739  Volume: 319
  Hydrophobic surface: 513.442  Hydrophilic surface: 82.899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00456070
AURORAFEINCHEMIE-ZINC03352316