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


AURORAFEINCHEMIE-ZINC02420063

 MMsINC code: MMs00453322
Type: Neutral
Formula: C17H26N2O3
SMILES:   O(C(=O)C(NC(=O)NCCCc1ccccc1)C(CC)C)C
InChI:   InChI=1/C17H26N2O3/c1-4-13(2)15(16(20)22-3)19-17(21)18-12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3,(H2,18,19,21)/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)=31.4134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.406 g/mol  logS: -3.28961  SlogP: 2.50607  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0539218  Sterimol/B1: 2.07188  Sterimol/B2: 2.50794  Sterimol/B3: 4.62289
  Sterimol/B4: 7.75488  Sterimol/L: 18.7859 
 
 Surface and Volume Properties
  Accessible surface: 616.422  Positive charged surface: 430.496  Negative charged surface: 185.926  Volume: 319.375
  Hydrophobic surface: 488.148  Hydrophilic surface: 128.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.