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


PUBCHEM-ZINC03736321

 MMsINC code: MMs03063823
Type: Neutral
Formula: C19H19FN2
SMILES:   Fc1cc(ccc1)C1NCCc2c1[nH]c1c2c(cc(c1)C)C
InChI:   InChI=1/C19H19FN2/c1-11-8-12(2)17-15-6-7-21-18(19(15)22-16(17)9-11)13-4-3-5-14(20)10-13/h3-5,8-10,18,21-22H,6-7H2,1-2H3/t18-/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)=61.1262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.373 g/mol  logS: -4.76279  SlogP: 4.25441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102142  Sterimol/B1: 2.43521  Sterimol/B2: 3.52294  Sterimol/B3: 4.56772
  Sterimol/B4: 8.30487  Sterimol/L: 13.6941 
 
 Surface and Volume Properties
  Accessible surface: 533.456  Positive charged surface: 333.47  Negative charged surface: 194.973  Volume: 295
  Hydrophobic surface: 496.453  Hydrophilic surface: 37.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs03063824
PUBCHEM-ZINC03736321