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


FDA-ZINC00897256

 MMsINC code: MMs01725362
Type: Neutral
Formula: C19H24N2O4
SMILES:   O(C)c1ccc(cc1)CC(NCC(O)c1cc(NC=O)c(O)cc1)C
InChI:   InChI=1/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19-/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)=103.31 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.411 g/mol  logS: -2.86622  SlogP: 2.31877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775143  Sterimol/B1: 2.14475  Sterimol/B2: 3.50049  Sterimol/B3: 4.08853
  Sterimol/B4: 9.58211  Sterimol/L: 16.1521 
 
 Surface and Volume Properties
  Accessible surface: 619.971  Positive charged surface: 434.354  Negative charged surface: 185.617  Volume: 338.875
  Hydrophobic surface: 432.504  Hydrophilic surface: 187.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs01725363
FDA-ZINC00897256