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


NANOSIN-ZINC03897462

 MMsINC code: MMs02203364
Type: Neutral
Formula: C15H14N2O3
SMILES:   Oc1ccc(cc1\C=N/Nc1ccccc1C(O)=O)C
InChI:   InChI=1/C15H14N2O3/c1-10-6-7-14(18)11(8-10)9-16-17-13-5-3-2-4-12(13)15(19)20/h2-9,17-18H,1H3,(H,19,20)/b16-9-

Download   format file 
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)=100.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.288 g/mol  logS: -3.08828  SlogP: 2.84482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602528  Sterimol/B1: 2.22927  Sterimol/B2: 2.46385  Sterimol/B3: 4.0262
  Sterimol/B4: 7.26887  Sterimol/L: 13.9711 
 
 Surface and Volume Properties
  Accessible surface: 475.945  Positive charged surface: 291.696  Negative charged surface: 184.249  Volume: 255.25
  Hydrophobic surface: 333.704  Hydrophilic surface: 142.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02203365
NANOSIN-ZINC03897462