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


PUBCHEM-ZINC02933770

 MMsINC code: MMs02962171
Type: Neutral
Formula: C27H18N2O4
SMILES:   o1c2c(nc1-c1cc(NC(=O)c3ccccc3-c3ccccc3C(O)=O)ccc1)cccc2
InChI:   InChI=1/C27H18N2O4/c30-25(21-12-3-1-10-19(21)20-11-2-4-13-22(20)27(31)32)28-18-9-7-8-17(16-18)26-29-23-14-5-6-15-24(23)33-26/h1-16H,(H,28,30)(H,31,32)

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)=141.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.451 g/mol  logS: -9.06632  SlogP: 6.1123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932264  Sterimol/B1: 3.25411  Sterimol/B2: 5.69955  Sterimol/B3: 5.73896
  Sterimol/B4: 6.8556  Sterimol/L: 17.8786 
 
 Surface and Volume Properties
  Accessible surface: 667.134  Positive charged surface: 377.353  Negative charged surface: 288.147  Volume: 402
  Hydrophobic surface: 559.315  Hydrophilic surface: 107.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02962172
PUBCHEM-ZINC02933770