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


COMGENEX-ZINC06723197

 MMsINC code: MMs01193878
Type: Neutral
Formula: C24H32FN3O3
SMILES:   Fc1ccc(cc1)C(=O)N(Cc1cc(NC(=O)CC(C)C)ccc1N(C)C)CCOC
InChI:   InChI=1/C24H32FN3O3/c1-17(2)14-23(29)26-21-10-11-22(27(3)4)19(15-21)16-28(12-13-31-5)24(30)18-6-8-20(25)9-7-18/h6-11,15,17H,12-14,16H2,1-5H3,(H,26,29)

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)=199.223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.536 g/mol  logS: -4.99961  SlogP: 4.4315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140454  Sterimol/B1: 3.66661  Sterimol/B2: 4.61038  Sterimol/B3: 5.30237
  Sterimol/B4: 7.6984  Sterimol/L: 18.4518 
 
 Surface and Volume Properties
  Accessible surface: 718.426  Positive charged surface: 544.807  Negative charged surface: 173.619  Volume: 428.25
  Hydrophobic surface: 625.268  Hydrophilic surface: 93.158
 
 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: no related molecules available.