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


ENAMINE-ZINC05443926

 MMsINC code: MMs01613521
Type: Neutral
Formula: C24H33NO3
SMILES:   O(CCCC(=O)NC(C)C12CC3CC(C1)CC(C2)C3)c1ccc(cc1)C(=O)C
InChI:   InChI=1/C24H33NO3/c1-16(26)21-5-7-22(8-6-21)28-9-3-4-23(27)25-17(2)24-13-18-10-19(14-24)12-20(11-18)15-24/h5-8,17-20H,3-4,9-15H2,1-2H3,(H,25,27)/t17-,18-,19+,20-,24-/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)=88.5827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.532 g/mol  logS: -6.04872  SlogP: 4.7693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360283  Sterimol/B1: 2.20057  Sterimol/B2: 2.37435  Sterimol/B3: 5.34605
  Sterimol/B4: 6.84578  Sterimol/L: 21.173 
 
 Surface and Volume Properties
  Accessible surface: 684.928  Positive charged surface: 480.907  Negative charged surface: 204.021  Volume: 390.625
  Hydrophobic surface: 587.867  Hydrophilic surface: 97.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.