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


PUBCHEM-ZINC05820072

 MMsINC code: MMs03399092
Type: Neutral
Formula: C19H20N2O4
SMILES:   Oc1cc(N2N(C(=O)C(CCCC)C2=O)c2cc(O)ccc2)ccc1
InChI:   InChI=1/C19H20N2O4/c1-2-3-10-17-18(24)20(13-6-4-8-15(22)11-13)21(19(17)25)14-7-5-9-16(23)12-14/h4-9,11-12,17,22-23H,2-3,10H2,1H3

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)=87.429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.53763  SlogP: 3.199  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103795  Sterimol/B1: 3.92023  Sterimol/B2: 4.03273  Sterimol/B3: 5.3578
  Sterimol/B4: 5.84824  Sterimol/L: 15.6442 
 
 Surface and Volume Properties
  Accessible surface: 587.833  Positive charged surface: 368.587  Negative charged surface: 219.246  Volume: 320.875
  Hydrophobic surface: 407.347  Hydrophilic surface: 180.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03399093
PUBCHEM-ZINC05820072