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


ENAMINE-ZINC06638950

 MMsINC code: MMs01688576
Type: Neutral
Formula: C20H25FN4O
SMILES:   Fc1ccc(cc1)CCNC(=O)C(N1CCN(CC1)c1ncccc1)C
InChI:   InChI=1/C20H25FN4O/c1-16(20(26)23-11-9-17-5-7-18(21)8-6-17)24-12-14-25(15-13-24)19-4-2-3-10-22-19/h2-8,10,16H,9,11-15H2,1H3,(H,23,26)/t16-/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)=146.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.445 g/mol  logS: -3.03627  SlogP: 2.09007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486708  Sterimol/B1: 2.19097  Sterimol/B2: 2.19501  Sterimol/B3: 5.21774
  Sterimol/B4: 6.79872  Sterimol/L: 20.4807 
 
 Surface and Volume Properties
  Accessible surface: 643.059  Positive charged surface: 440.063  Negative charged surface: 202.996  Volume: 350.375
  Hydrophobic surface: 567.04  Hydrophilic surface: 76.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs01688577
ENAMINE-ZINC06638950