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


COMGENEX-ZINC06696585

 MMsINC code: MMs01188365
Type: Neutral
Formula: C19H25FN4O
SMILES:   Fc1cc(-n2ncc(C(=O)N3CCN(CC3)CC)c2C(C)C)ccc1
InChI:   InChI=1/C19H25FN4O/c1-4-22-8-10-23(11-9-22)19(25)17-13-21-24(18(17)14(2)3)16-7-5-6-15(20)12-16/h5-7,12-14H,4,8-11H2,1-3H3

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)=109.06 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.434 g/mol  logS: -2.96478  SlogP: 2.9125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126662  Sterimol/B1: 2.16513  Sterimol/B2: 3.54489  Sterimol/B3: 5.13034
  Sterimol/B4: 7.1468  Sterimol/L: 16.4028 
 
 Surface and Volume Properties
  Accessible surface: 587.023  Positive charged surface: 399.018  Negative charged surface: 188.005  Volume: 337.5
  Hydrophobic surface: 496.434  Hydrophilic surface: 90.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01188366
COMGENEX-ZINC06696585