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


PUBCHEM-ZINC06393097

 MMsINC code: MMs03704070
Type: Neutral
Formula: C24H24N2O3
SMILES:   O(c1cc(ccc1)C(N1CCC(CC1)C(O)=O)c1ncccc1)c1ccccc1
InChI:   InChI=1/C24H24N2O3/c27-24(28)18-12-15-26(16-13-18)23(22-11-4-5-14-25-22)19-7-6-10-21(17-19)29-20-8-2-1-3-9-20/h1-11,14,17-18,23H,12-13,15-16H2,(H,27,28)/t23-/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)=102.063 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.467 g/mol  logS: -4.00642  SlogP: 4.8554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812092  Sterimol/B1: 3.23262  Sterimol/B2: 4.38724  Sterimol/B3: 4.90613
  Sterimol/B4: 6.90362  Sterimol/L: 18.0283 
 
 Surface and Volume Properties
  Accessible surface: 657.192  Positive charged surface: 428.629  Negative charged surface: 228.563  Volume: 382
  Hydrophobic surface: 566.169  Hydrophilic surface: 91.023
 
 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.