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


IBS-ZINC02404392

 MMsINC code: MMs01852969
Type: Neutral
Formula: C26H25NO3
SMILES:   O1c2c(C=C(c3cc(ccc3)C(=O)NC3C4CC5CC3CC(C4)C5)C1=O)cccc2
InChI:   InChI=1/C26H25NO3/c28-25(27-24-20-9-15-8-16(11-20)12-21(24)10-15)19-6-3-5-17(13-19)22-14-18-4-1-2-7-23(18)30-26(22)29/h1-7,13-16,20-21,24H,8-12H2,(H,27,28)/t15-,16+,20-,21+,24-

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)=108.424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.49 g/mol  logS: -7.39566  SlogP: 4.7007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511865  Sterimol/B1: 2.70198  Sterimol/B2: 3.87285  Sterimol/B3: 5.15356
  Sterimol/B4: 5.67042  Sterimol/L: 19.999 
 
 Surface and Volume Properties
  Accessible surface: 664.779  Positive charged surface: 415.264  Negative charged surface: 249.514  Volume: 385.125
  Hydrophobic surface: 579.834  Hydrophilic surface: 84.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.