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


NCID-ZINC05276308

 MMsINC code: MMs02450841
Type: Neutral
Formula: C23H27NO5
SMILES:   O1c2c(cc3OCOc3c2)C(C(C)C1(N1CCCC1)C)c1cccc(OC)c1O
InChI:   InChI=1/C23H27NO5/c1-14-21(15-7-6-8-17(26-3)22(15)25)16-11-19-20(28-13-27-19)12-18(16)29-23(14,2)24-9-4-5-10-24/h6-8,11-12,14,21,25H,4-5,9-10,13H2,1-3H3/t14-,21-,23+/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)=164.354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -4.1421  SlogP: 4.1019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.193054  Sterimol/B1: 3.23473  Sterimol/B2: 3.45425  Sterimol/B3: 5.23858
  Sterimol/B4: 8.88113  Sterimol/L: 15.2109 
 
 Surface and Volume Properties
  Accessible surface: 616.285  Positive charged surface: 452.244  Negative charged surface: 164.041  Volume: 374.125
  Hydrophobic surface: 508.421  Hydrophilic surface: 107.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.