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


CHEMSTAR-ZINC04121886

 MMsINC code: MMs01106847
Type: Neutral
Formula: C32H28N2O4
SMILES:   O(C)c1ccc(cc1)C(=O)COC(=O)c1cc(nc2c1cc(cc2)C)-c1ccc(-n2c(ccc
2C)C)cc1
InChI:   InChI=1/C32H28N2O4/c1-20-5-16-29-27(17-20)28(32(36)38-19-31(35)24-10-14-26(37-4)15-11-24)18-30(33-29)23-8-12-25(13-9-23)34-21(2)6-7-22(34)3/h5-18H,19H2,1-4H3

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)=167.234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.586 g/mol  logS: -8.16175  SlogP: 6.66606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334861  Sterimol/B1: 2.36346  Sterimol/B2: 4.44241  Sterimol/B3: 4.70323
  Sterimol/B4: 13.5275  Sterimol/L: 22.4852 
 
 Surface and Volume Properties
  Accessible surface: 856.676  Positive charged surface: 510.497  Negative charged surface: 335.241  Volume: 496.25
  Hydrophobic surface: 756.797  Hydrophilic surface: 99.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.