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


MDPI-ZINC01719189

 MMsINC code: MMs02176034
Type: Neutral
Formula: C18H19NO4
SMILES:   O(C)c1cc2C3c4cc(OC)c(O)cc4CN(C3)Cc2cc1O
InChI:   InChI=1/C18H19NO4/c1-22-17-5-12-10(3-15(17)20)7-19-8-11-4-16(21)18(23-2)6-13(11)14(12)9-19/h3-6,14,20-21H,7-9H2,1-2H3

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)=118.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.353 g/mol  logS: -2.58192  SlogP: 3.1089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192054  Sterimol/B1: 2.4766  Sterimol/B2: 3.86632  Sterimol/B3: 3.92455
  Sterimol/B4: 8.32089  Sterimol/L: 13.2249 
 
 Surface and Volume Properties
  Accessible surface: 524.633  Positive charged surface: 416.411  Negative charged surface: 108.221  Volume: 289.625
  Hydrophobic surface: 388.851  Hydrophilic surface: 135.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  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:  
   

Ions/Tautomers related molecules


MMs02176035
MDPI-ZINC01719189