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


NANOSIN-ZINC04529227

 MMsINC code: MMs02207781
Type: Neutral
Formula: C18H20N2O4
SMILES:   OC(C(O)C(=O)NCc1ccccc1)C(=O)NCc1ccccc1
InChI:   InChI=1/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m1/s1

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)=65.6966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.368 g/mol  logS: -3.0664  SlogP: 0.8738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946093  Sterimol/B1: 2.3869  Sterimol/B2: 3.3321  Sterimol/B3: 4.58036
  Sterimol/B4: 7.75379  Sterimol/L: 15.578 
 
 Surface and Volume Properties
  Accessible surface: 618.141  Positive charged surface: 353.853  Negative charged surface: 264.288  Volume: 315.625
  Hydrophobic surface: 456.146  Hydrophilic surface: 161.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.