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


CHEMSTAR-ZINC00990678

 MMsINC code: MMs01076904
Type: Neutral
Formula: C24H23NO4
SMILES:   O(c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C24H23NO4/c26-23(21-7-3-4-8-22(21)24(27)28)25-18-10-13-19(14-11-18)29-20-12-9-16-5-1-2-6-17(16)15-20/h1-2,5-6,9-15,21-22H,3-4,7-8H2,(H,25,26)(H,27,28)/t21-,22-/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)=93.7926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.451 g/mol  logS: -6.33918  SlogP: 5.4616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0744842  Sterimol/B1: 2.90775  Sterimol/B2: 3.42402  Sterimol/B3: 4.95115
  Sterimol/B4: 7.49737  Sterimol/L: 18.6987 
 
 Surface and Volume Properties
  Accessible surface: 662.855  Positive charged surface: 403.799  Negative charged surface: 248.886  Volume: 374.125
  Hydrophobic surface: 562.577  Hydrophilic surface: 100.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01076905
CHEMSTAR-ZINC00990678