Common name
1-methylpyrrolidine
IUPAC name
1-methylpyrrolidine
SMILES
N1(CCCC1)C
Common name
1-methylpyrrolidine
IUPAC name
1-methylpyrrolidine
SMILES
N1(CCCC1)C
INCHI
InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
FORMULA
C5H11N
Common name
1-methylpyrrolidine
IUPAC name
1-methylpyrrolidine
Molecular weight
85.148
clogP
1.232
clogS
-0.604
Frequency
0.0076
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01826 | Acrivastine |
|
Respiratory System; Antihistamines for Systemic Use; | For the relief of symptoms associated with seasonal allergic rhinitis such as sneezing, rhinorrhea, pruritus, lacrimation, and nasal congestion. |
| FDBD01851 | nicotine |
|
Insecticide | Insecticide |
22 ,
3
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xbv_ligand_1_2.mol2 | 2xbv | 1 | -5.48 | C1CC[NH+](C1)C | 6 |
| 2vvc_ligand_1_3.mol2 | 2vvc | 1 | -5.47 | C[NH+]1CCCC1 | 6 |
| 2xc4_ligand_1_2.mol2 | 2xc4 | 1 | -5.44 | C1CC[NH+](C1)C | 6 |
| 4qtd_ligand_1_3.mol2 | 4qtd | 1 | -5.44 | C[NH+]1CCCC1 | 6 |
| 4urx_ligand_1_0.mol2 | 4urx | 1 | -5.44 | C[NH+]1CCCC1 | 6 |
| 3gjw_ligand_1_1.mol2 | 3gjw | 1 | -5.40 | C[NH+]1CCCC1 | 6 |
| 3cdb_ligand_1_0.mol2 | 3cdb | 1 | -5.39 | [NH+]1(CCCC1)C | 6 |
| 1lxf_ligand_1_3.mol2 | 1lxf | 1 | -5.38 | C[NH+]1CCCC1 | 6 |
| 1szm_ligand_frag_0.mol2 | 1szm | 1 | -5.34 | C[NH+]1CCCC1 | 6 |
| 3bgl_ligand_1_0.mol2 | 3bgl | 1 | -5.34 | C[NH+]1CCCC1 | 6 |
101 ,
11
