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


PUBCHEM-ZINC05459671

 MMsINC code: MMs03276175
Type: Neutral
Formula: C26H25NO3
SMILES:   O(C(=O)C(NC(=O)CC1c2c(-c3c1cccc3)cccc2)Cc1ccccc1)CC
InChI:   InChI=1/C26H25NO3/c1-2-30-26(29)24(16-18-10-4-3-5-11-18)27-25(28)17-23-21-14-8-6-12-19(21)20-13-7-9-15-22(20)23/h3-15,23-24H,2,16-17H2,1H3,(H,27,28)/t24-/m1/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)=104.825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.49 g/mol  logS: -6.46249  SlogP: 4.47957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505779  Sterimol/B1: 2.54165  Sterimol/B2: 3.45645  Sterimol/B3: 3.49751
  Sterimol/B4: 11.505  Sterimol/L: 16.1952 
 
 Surface and Volume Properties
  Accessible surface: 693.961  Positive charged surface: 413.708  Negative charged surface: 271.406  Volume: 402.125
  Hydrophobic surface: 626.895  Hydrophilic surface: 67.066
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.