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 |
|---|---|---|---|---|---|
| 4bg1_ligand_1_1.mol2 | 4bg1 | 1 | -6.37 | C1CCC[N+]1(C)C | 7 |
| 1uw6_ligand_frag_1.mol2 | 1uw6 | 1 | -6.26 | [NH+]1(CCCC1)C | 6 |
| 2yk1_ligand_frag_1.mol2 | 2yk1 | 1 | -6.26 | [NH+]1(CCCC1)C | 6 |
| 4nvq_ligand_1_0.mol2 | 4nvq | 1 | -6.21 | [NH+]1(CCCC1)C | 6 |
| 4bg1_ligand_frag_0.mol2 | 4bg1 | 1 | -6.20 | C1CCC[NH+]1C | 6 |
| 5am0_ligand_frag_1.mol2 | 5am0 | 1 | -6.14 | C1CCC[NH+]1C | 6 |
| 2y5f_ligand_2_18.mol2 | 2y5f | 1 | -6.13 | C[N+]1(C)CCCC1 | 7 |
| 3fuj_ligand_1_0.mol2 | 3fuj | 1 | -6.12 | C1CCC[NH+]1C | 6 |
| 3fh8_ligand_1_0.mol2 | 3fh8 | 1 | -6.11 | C[NH+]1CCCC1 | 6 |
101 ,
11
