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


ASINEX-ZINC00378283

 MMsINC code: MMs00126620
Type: Ionized
Formula: C15H19N2O4-
SMILES:   O=C([O-])c1cc(NC(=O)C(C)C)c(NC(=O)C(C)C)cc1
InChI:   InChI=1/C15H20N2O4/c1-8(2)13(18)16-11-6-5-10(15(20)21)7-12(11)17-14(19)9(3)4/h5-9H,1-4H3,(H,16,18)(H,17,19)(H,20,21)/p-1

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)=48.4491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.327 g/mol  logS: -2.84071  SlogP: 1.2391  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0687432  Sterimol/B1: 2.02273  Sterimol/B2: 4.26523  Sterimol/B3: 4.67424
  Sterimol/B4: 9.00807  Sterimol/L: 13.2708 
 
 Surface and Volume Properties
  Accessible surface: 540.048  Positive charged surface: 312.716  Negative charged surface: 227.333  Volume: 282.75
  Hydrophobic surface: 319.051  Hydrophilic surface: 220.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:  
   
Parent related molecule:


MMs00126619
ASINEX-ZINC00378283