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


ASINEX-ZINC00921334

 MMsINC code: MMs00221275
Type: Neutral
Formula: C25H25FN4O3
SMILES:   Fc1ccc(N(C(C(=O)NC2CCCCC2)c2ccc(O)cc2)C(=O)c2nccnc2)cc1
InChI:   InChI=1/C25H25FN4O3/c26-18-8-10-20(11-9-18)30(25(33)22-16-27-14-15-28-22)23(17-6-12-21(31)13-7-17)24(32)29-19-4-2-1-3-5-19/h6-16,19,23,31H,1-5H2,(H,29,32)/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)=175.292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.498 g/mol  logS: -4.23016  SlogP: 4.2538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113344  Sterimol/B1: 2.49308  Sterimol/B2: 4.79682  Sterimol/B3: 6.29432
  Sterimol/B4: 9.21194  Sterimol/L: 15.6005 
 
 Surface and Volume Properties
  Accessible surface: 687.32  Positive charged surface: 491.091  Negative charged surface: 196.228  Volume: 413.625
  Hydrophobic surface: 572.892  Hydrophilic surface: 114.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.