Common name
pyrrolidine
IUPAC name
pyrrolidine
SMILES
N1CCCC1
Common name
pyrrolidine
IUPAC name
pyrrolidine
SMILES
N1CCCC1
INCHI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
FORMULA
C4H9N
Common name
pyrrolidine
IUPAC name
pyrrolidine
Molecular weight
71.121
clogP
1.550
clogS
-0.899
Frequency
0.0072
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01852 | nornicotine |
|
Insecticide | Insecticide |
21 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1wm1_ligand_frag_0.mol2 | 1wm1 | 1 | -6.19 | [NH2+]1CCCC1 | 5 |
| 1nj5_ligand_frag_0.mol2 | 1nj5 | 1 | -6.15 | C1CC[NH2+]C1 | 5 |
| 4nvq_ligand_frag_0.mol2 | 4nvq | 1 | -6.14 | [NH2+]1CCCC1 | 5 |
| 3fh5_ligand_frag_5.mol2 | 3fh5 | 1 | -6.11 | C1CCC[NH2+]1 | 5 |
| 3fun_ligand_frag_6.mol2 | 3fun | 1 | -6.11 | C1[NH2+]CCC1 | 5 |
| 2fxr_ligand_frag_6.mol2 | 2fxr | 1 | -6.10 | C1CC[NH2+]C1 | 5 |
| 3fui_ligand_frag_0.mol2 | 3fui | 1 | -6.06 | C1[NH2+]CCC1 | 5 |
| 3fh8_ligand_frag_0.mol2 | 3fh8 | 1 | -6.02 | C1CCC[NH2+]1 | 5 |
177 ,
18
