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


ENAMINE-ZINC05791567

 MMsINC code: MMs01639018
Type: Neutral
Formula: C20H25F2N3O3
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)NC2CCCC(C)C2C)C1=O)C
InChI:   InChI=1/C20H25F2N3O3/c1-11-5-4-6-16(12(11)2)23-17(26)10-25-18(27)20(3,24-19(25)28)14-9-13(21)7-8-15(14)22/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,23,26)(H,24,28)/t11-,12+,16+,20+/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)=45.7924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.434 g/mol  logS: -5.08026  SlogP: 2.9842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0537342  Sterimol/B1: 3.29419  Sterimol/B2: 3.5838  Sterimol/B3: 4.14996
  Sterimol/B4: 5.49648  Sterimol/L: 19.0037 
 
 Surface and Volume Properties
  Accessible surface: 631.478  Positive charged surface: 388.217  Negative charged surface: 243.26  Volume: 359.125
  Hydrophobic surface: 462.673  Hydrophilic surface: 168.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.