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


CHEMBRIDGE-ZINC02495451

 MMsINC code: MMs00711404
Type: Neutral
Formula: C19H20N2O2
SMILES:   O=C(N\C(=C\c1ccccc1)\C(=O)NC(C)c1ccccc1)C
InChI:   InChI=1/C19H20N2O2/c1-14(17-11-7-4-8-12-17)20-19(23)18(21-15(2)22)13-16-9-5-3-6-10-16/h3-14H,1-2H3,(H,20,23)(H,21,22)/b18-13-/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)=99.2424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -4.37742  SlogP: 3.1365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494037  Sterimol/B1: 2.2359  Sterimol/B2: 2.35587  Sterimol/B3: 4.71174
  Sterimol/B4: 7.36871  Sterimol/L: 16.3836 
 
 Surface and Volume Properties
  Accessible surface: 562.582  Positive charged surface: 311.718  Negative charged surface: 250.864  Volume: 313.25
  Hydrophobic surface: 479.064  Hydrophilic surface: 83.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00711405
CHEMBRIDGE-ZINC02495451