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


ANALYTICONDISCOVERY-ZINC04222771

 MMsINC code: MMs00031274
Type: Neutral
Formula: C14H18N2O4
SMILES:   O1C2C(OCC2OC)C(NC(=O)Nc2ccccc2)C1
InChI:   InChI=1/C14H18N2O4/c1-18-11-8-20-12-10(7-19-13(11)12)16-14(17)15-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3,(H2,15,16,17)/t10-,11+,12+,13+/m0/s1

Download   format file 
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)=87.024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.308 g/mol  logS: -2.15379  SlogP: 0.9893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0509002  Sterimol/B1: 2.85711  Sterimol/B2: 3.46925  Sterimol/B3: 4.35026
  Sterimol/B4: 4.6142  Sterimol/L: 17.3015 
 
 Surface and Volume Properties
  Accessible surface: 521.744  Positive charged surface: 394.379  Negative charged surface: 127.365  Volume: 262.25
  Hydrophobic surface: 429.954  Hydrophilic surface: 91.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.