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


PUBCHEM-ZINC01546114

 MMsINC code: MMs02814160
Type: Neutral
Formula: C34H40N2O3
SMILES:   OC(Cc1ccc2c(cccc2)c1C(=O)NC(C)(C)C)CCc1ccc2c(cccc2)c1C(=O)NC
(C)(C)C
InChI:   InChI=1/C34H40N2O3/c1-33(2,3)35-31(38)29-24(17-15-22-11-7-9-13-27(22)29)19-20-26(37)21-25-18-16-23-12-8-10-14-28(23)30(25)32(39)36-34(4,5)6/h7-18,26,37H,19-21H2,1-6H3,(H,35,38)(H,36,39)/t26-/m1/s1

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)=157.281 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 524.705 g/mol  logS: -9.25979  SlogP: 6.58574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165642  Sterimol/B1: 3.22641  Sterimol/B2: 3.78326  Sterimol/B3: 5.93772
  Sterimol/B4: 9.44374  Sterimol/L: 17.4002 
 
 Surface and Volume Properties
  Accessible surface: 810.369  Positive charged surface: 458.295  Negative charged surface: 333.222  Volume: 543
  Hydrophobic surface: 654.937  Hydrophilic surface: 155.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.