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


ACROSORGANICS-ZINC04262145

 MMsINC code: MMs00017273
Type: Neutral
Formula: C24H21NO4
SMILES:   O(CC1c2c(-c3c1cccc3)cccc2)C(=O)NC(Cc1ccccc1)C(O)=O
InChI:   InChI=1/C24H21NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/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)=84.3522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.435 g/mol  logS: -5.91785  SlogP: 4.22097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.06555  Sterimol/B1: 3.04109  Sterimol/B2: 3.22963  Sterimol/B3: 4.29132
  Sterimol/B4: 9.18289  Sterimol/L: 15.8601 
 
 Surface and Volume Properties
  Accessible surface: 651.682  Positive charged surface: 355.431  Negative charged surface: 286.029  Volume: 371.5
  Hydrophobic surface: 527.162  Hydrophilic surface: 124.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00017274
ACROSORGANICS-ZINC04262145