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


PHARMEK-ZINC01873721

 MMsINC code: MMs02623634
Type: Neutral
Formula: C34H28N2O4
SMILES:   O=C1c2c(cccc2)C(=O)C1(C1(C(=O)c2c(cccc2)C1=O)c1ccc(N(C)C)cc1
)c1ccc(N(C)C)cc1
InChI:   InChI=1/C34H28N2O4/c1-35(2)23-17-13-21(14-18-23)33(29(37)25-9-5-6-10-26(25)30(33)38)34(22-15-19-24(20-16-22)36(3)4)31(39)27-11-7-8-12-28(27)32(34)40/h5-20H,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)=264.372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 528.608 g/mol  logS: -7.70834  SlogP: 5.1528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.312911  Sterimol/B1: 2.13703  Sterimol/B2: 4.54128  Sterimol/B3: 6.6595
  Sterimol/B4: 11.4122  Sterimol/L: 14.4404 
 
 Surface and Volume Properties
  Accessible surface: 772.034  Positive charged surface: 515.114  Negative charged surface: 256.92  Volume: 496.5
  Hydrophobic surface: 701.21  Hydrophilic surface: 70.824
 
 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.