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


ANALYTICONDISCOVERY-ZINC03842146

 MMsINC code: MMs00028917
Type: Neutral
Formula: C24H27FN4O6
SMILES:   Fc1cc(ccc1)C(=O)N1CC(N(CC1)C(=O)COC)C(=O)NC(Cc1cccnc1)C(OC)=
O
InChI:   InChI=1/C24H27FN4O6/c1-34-15-21(30)29-10-9-28(23(32)17-6-3-7-18(25)12-17)14-20(29)22(31)27-19(24(33)35-2)11-16-5-4-8-26-13-16/h3-8,12-13,19-20H,9-11,14-15H2,1-2H3,(H,27,31)/t19-,20+/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)=197.823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.5 g/mol  logS: -3.23003  SlogP: 0.42057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0805835  Sterimol/B1: 3.0488  Sterimol/B2: 3.91307  Sterimol/B3: 4.89549
  Sterimol/B4: 8.94296  Sterimol/L: 16.4874 
 
 Surface and Volume Properties
  Accessible surface: 716.938  Positive charged surface: 528.403  Negative charged surface: 188.535  Volume: 438.875
  Hydrophobic surface: 615.148  Hydrophilic surface: 101.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.