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


CHEMDIV-ZINC02907751

 MMsINC code: MMs00888760
Type: Neutral
Formula: C24H33NO2
SMILES:   O(CC)c1ccc(cc1)C(O)(C(CN1CCCCC1)c1ccccc1)CC
InChI:   InChI=1/C24H33NO2/c1-3-24(26,21-13-15-22(16-14-21)27-4-2)23(20-11-7-5-8-12-20)19-25-17-9-6-10-18-25/h5,7-8,11-16,23,26H,3-4,6,9-10,17-19H2,1-2H3/t23-,24+/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)=102.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.533 g/mol  logS: -4.41844  SlogP: 5.2641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180542  Sterimol/B1: 2.40402  Sterimol/B2: 5.02774  Sterimol/B3: 5.10773
  Sterimol/B4: 9.49336  Sterimol/L: 17.3005 
 
 Surface and Volume Properties
  Accessible surface: 652.111  Positive charged surface: 479.532  Negative charged surface: 172.579  Volume: 392.375
  Hydrophobic surface: 585.34  Hydrophilic surface: 66.771
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00888761
CHEMDIV-ZINC02907751