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


CHEMDIV-ZINC05043932

 MMsINC code: MMs00982879
Type: Neutral
Formula: C24H32FN3O2
SMILES:   Fc1ccccc1-c1oc(C)c(n1)CN1CCC(CC1)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C24H32FN3O2/c1-16-7-9-19(10-8-16)26-23(29)18-11-13-28(14-12-18)15-22-17(2)30-24(27-22)20-5-3-4-6-21(20)25/h3-6,16,18-19H,7-15H2,1-2H3,(H,26,29)/t16-,19+

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)=72.8522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.537 g/mol  logS: -5.9856  SlogP: 4.96242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994371  Sterimol/B1: 2.24357  Sterimol/B2: 4.70708  Sterimol/B3: 5.25094
  Sterimol/B4: 7.51567  Sterimol/L: 20.1686 
 
 Surface and Volume Properties
  Accessible surface: 724.91  Positive charged surface: 502.803  Negative charged surface: 222.107  Volume: 410.375
  Hydrophobic surface: 647.29  Hydrophilic surface: 77.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00982880
CHEMDIV-ZINC05043932