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


NCID-ZINC04900547

 MMsINC code: MMs02415035
Type: Neutral
Formula: C28H34N2O6
SMILES:   O(C)c1c(cccc1OC)C1N(CCCN1Cc1cccc(OC)c1O)Cc1cccc(OC)c1O
InChI:   InChI=1/C28H34N2O6/c1-33-22-12-5-9-19(25(22)31)17-29-15-8-16-30(18-20-10-6-13-23(34-2)26(20)32)28(29)21-11-7-14-24(35-3)27(21)36-4/h5-7,9-14,28,31-32H,8,15-18H2,1-4H3

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)=175.931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.588 g/mol  logS: -4.39898  SlogP: 5.1672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184147  Sterimol/B1: 2.54876  Sterimol/B2: 3.61015  Sterimol/B3: 7.41394
  Sterimol/B4: 10.7756  Sterimol/L: 18.3454 
 
 Surface and Volume Properties
  Accessible surface: 770.484  Positive charged surface: 602.928  Negative charged surface: 167.556  Volume: 476
  Hydrophobic surface: 689.082  Hydrophilic surface: 81.402
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.