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


OTAVA-ZINC01926143

 MMsINC code: MMs02568140
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C)c1ccc(cc1NC(=O)c1ccc(OC(C(=O)Nc2ccccc2)C)cc1)C
InChI:   InChI=1/C24H24N2O4/c1-16-9-14-22(29-3)21(15-16)26-24(28)18-10-12-20(13-11-18)30-17(2)23(27)25-19-7-5-4-6-8-19/h4-15,17H,1-3H3,(H,25,27)(H,26,28)/t17-/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)=146.087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -6.25319  SlogP: 4.66192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358234  Sterimol/B1: 1.98803  Sterimol/B2: 4.14508  Sterimol/B3: 4.77544
  Sterimol/B4: 8.88785  Sterimol/L: 22.2823 
 
 Surface and Volume Properties
  Accessible surface: 727.232  Positive charged surface: 445.775  Negative charged surface: 281.457  Volume: 394.75
  Hydrophobic surface: 625.6  Hydrophilic surface: 101.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.