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


AURORAFEINCHEMIE-ZINC04657750

 MMsINC code: MMs00470222
Type: Neutral
Formula: C16H22N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1)Cc1ccccc1
InChI:   InChI=1/C16H22N2O3/c19-15(20)14(11-12-7-3-1-4-8-12)18-16(21)17-13-9-5-2-6-10-13/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,19,20)(H2,17,18,21)/t14-/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)=17.7267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.363 g/mol  logS: -2.90068  SlogP: 2.31417  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0757368  Sterimol/B1: 2.52587  Sterimol/B2: 3.26385  Sterimol/B3: 3.84149
  Sterimol/B4: 9.1454  Sterimol/L: 14.456 
 
 Surface and Volume Properties
  Accessible surface: 550.448  Positive charged surface: 365.279  Negative charged surface: 185.169  Volume: 287.625
  Hydrophobic surface: 422.902  Hydrophilic surface: 127.546
 
 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


MMs00470223
AURORAFEINCHEMIE-ZINC04657750