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


NCID-ZINC01691936

 MMsINC code: MMs02323785
Type: Neutral
Formula: C28H29NO2
SMILES:   OC(=O)Cc1c2cc(ccc2[nH]c1C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
InChI:   InChI=1/C28H29NO2/c1-27(2,19-11-7-5-8-12-19)21-15-16-24-22(17-21)23(18-25(30)31)26(29-24)28(3,4)20-13-9-6-10-14-20/h5-17,29H,18H2,1-4H3,(H,30,31)

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)=143.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.545 g/mol  logS: -7.21186  SlogP: 6.44677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181031  Sterimol/B1: 3.07673  Sterimol/B2: 4.62239  Sterimol/B3: 5.74711
  Sterimol/B4: 7.13365  Sterimol/L: 15.5394 
 
 Surface and Volume Properties
  Accessible surface: 681.295  Positive charged surface: 404.784  Negative charged surface: 275.209  Volume: 421.75
  Hydrophobic surface: 532.06  Hydrophilic surface: 149.235
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02323786
NCID-ZINC01691936