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


ASINEX-ZINC00231643

 MMsINC code: MMs00095070
Type: Neutral
Formula: C20H23NO4
SMILES:   O(CC)c1ccc(NC(=O)C(C(C)c2ccccc2)CC(O)=O)cc1
InChI:   InChI=1/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)21-20(24)18(13-19(22)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)(H,22,23)/t14-,18-/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)=80.3126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.407 g/mol  logS: -3.94339  SlogP: 3.9184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602376  Sterimol/B1: 3.75786  Sterimol/B2: 3.97372  Sterimol/B3: 4.13601
  Sterimol/B4: 5.24513  Sterimol/L: 19.8239 
 
 Surface and Volume Properties
  Accessible surface: 615.909  Positive charged surface: 388.838  Negative charged surface: 227.071  Volume: 335
  Hydrophobic surface: 472.059  Hydrophilic surface: 143.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00095071
ASINEX-ZINC00231643