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


PUBCHEM-ZINC06382424

 MMsINC code: MMs03697423
Type: Neutral
Formula: C24H27NO4
SMILES:   O(C(=O)C)c1cc2c3cc(ccc3ccc2cc1)C(OC(=O)C)CN(CC)CC
InChI:   InChI=1/C24H27NO4/c1-5-25(6-2)15-24(29-17(4)27)20-10-9-18-7-8-19-11-12-21(28-16(3)26)14-23(19)22(18)13-20/h7-14,24H,5-6,15H2,1-4H3/t24-/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)=107.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.483 g/mol  logS: -6.43556  SlogP: 4.9598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146008  Sterimol/B1: 2.39602  Sterimol/B2: 6.10711  Sterimol/B3: 6.2799
  Sterimol/B4: 7.56736  Sterimol/L: 15.8989 
 
 Surface and Volume Properties
  Accessible surface: 706.987  Positive charged surface: 426.436  Negative charged surface: 260.318  Volume: 395
  Hydrophobic surface: 590.287  Hydrophilic surface: 116.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03697424
PUBCHEM-ZINC06382424