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


IBS-ZINC04090544

 MMsINC code: MMs01880549
Type: Neutral
Formula: C24H29NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)\C=C\C(=O)N1CCc2c(cc(OC)c(OC)c2)C1C
InChI:   InChI=1/C24H29NO6/c1-15-18-14-20(28-3)19(27-2)13-17(18)9-10-25(15)23(26)8-7-16-11-21(29-4)24(31-6)22(12-16)30-5/h7-8,11-15H,9-10H2,1-6H3/b8-7+/t15-/m0/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)=150.269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.497 g/mol  logS: -4.46172  SlogP: 3.98417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562441  Sterimol/B1: 2.00763  Sterimol/B2: 5.27732  Sterimol/B3: 6.28448
  Sterimol/B4: 6.35625  Sterimol/L: 19.459 
 
 Surface and Volume Properties
  Accessible surface: 729.307  Positive charged surface: 582.436  Negative charged surface: 146.871  Volume: 416.375
  Hydrophobic surface: 642.446  Hydrophilic surface: 86.861
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.