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


IBS-ZINC03136021

 MMsINC code: MMs01870553
Type: Neutral
Formula: C23H24N2O5
SMILES:   O(C)c1cc(ccc1OC)C1N(C(=O)C)C(Cc2c1[nH]c1c2cccc1)C(OC)=O
InChI:   InChI=1/C23H24N2O5/c1-13(26)25-18(23(27)30-4)12-16-15-7-5-6-8-17(15)24-21(16)22(25)14-9-10-19(28-2)20(11-14)29-3/h5-11,18,22,24H,12H2,1-4H3/t18-,22-/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)=228.365 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -4.3359  SlogP: 3.31617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215665  Sterimol/B1: 3.60239  Sterimol/B2: 3.95677  Sterimol/B3: 5.50371
  Sterimol/B4: 11.3088  Sterimol/L: 13.7813 
 
 Surface and Volume Properties
  Accessible surface: 649.077  Positive charged surface: 484.256  Negative charged surface: 159.557  Volume: 376.625
  Hydrophobic surface: 572.713  Hydrophilic surface: 76.364
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.