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


OTAVA-ZINC02887314

 MMsINC code: MMs02580519
Type: Neutral
Formula: C20H19FN2O
SMILES:   Fc1ccc(NC(=O)Cn2c3CCCCc3c3c2cccc3)cc1
InChI:   InChI=1/C20H19FN2O/c21-14-9-11-15(12-10-14)22-20(24)13-23-18-7-3-1-5-16(18)17-6-2-4-8-19(17)23/h1,3,5,7,9-12H,2,4,6,8,13H2,(H,22,24)

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)=67.6366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.383 g/mol  logS: -4.94901  SlogP: 4.56424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111483  Sterimol/B1: 2.75882  Sterimol/B2: 3.54794  Sterimol/B3: 4.21793
  Sterimol/B4: 9.10037  Sterimol/L: 14.867 
 
 Surface and Volume Properties
  Accessible surface: 567.561  Positive charged surface: 352.905  Negative charged surface: 208.814  Volume: 312.375
  Hydrophobic surface: 533.719  Hydrophilic surface: 33.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.