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


CHEMDIV-ZINC04122053

 MMsINC code: MMs00928041
Type: Neutral
Formula: C24H37NO2
SMILES:   O(CC(O)CN(C1CCCCC1)C1CCCCC1)c1ccccc1CC=C
InChI:   InChI=1/C24H37NO2/c1-2-11-20-12-9-10-17-24(20)27-19-23(26)18-25(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h2,9-10,12,17,21-23,26H,1,3-8,11,13-16,18-19H2/t23-/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)=114.287 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.565 g/mol  logS: -5.23105  SlogP: 5.12217  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140014  Sterimol/B1: 2.48115  Sterimol/B2: 4.60065  Sterimol/B3: 6.84339
  Sterimol/B4: 7.32231  Sterimol/L: 15.7204 
 
 Surface and Volume Properties
  Accessible surface: 692.972  Positive charged surface: 500.486  Negative charged surface: 192.486  Volume: 402.75
  Hydrophobic surface: 617.412  Hydrophilic surface: 75.56
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00928042
CHEMDIV-ZINC04122053