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


ENAMINE-ZINC06786756

 MMsINC code: MMs01696781
Type: Neutral
Formula: C19H20N2O4
SMILES:   O=C1N(CCC(=O)Nc2ccc(cc2)C(=O)C)C(=O)C2C1CC=CC2
InChI:   InChI=1/C19H20N2O4/c1-12(22)13-6-8-14(9-7-13)20-17(23)10-11-21-18(24)15-4-2-3-5-16(15)19(21)25/h2-3,6-9,15-16H,4-5,10-11H2,1H3,(H,20,23)/t15-,16-/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)=47.8896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -2.31535  SlogP: 2.169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252364  Sterimol/B1: 3.19122  Sterimol/B2: 3.2742  Sterimol/B3: 3.41567
  Sterimol/B4: 4.41802  Sterimol/L: 20.4963 
 
 Surface and Volume Properties
  Accessible surface: 607.998  Positive charged surface: 371.19  Negative charged surface: 236.808  Volume: 317
  Hydrophobic surface: 419.872  Hydrophilic surface: 188.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.