Common name
(2S)-1-ethyl-2-methyl-pyrrolidine
IUPAC name
(2S)-1-ethyl-2-methyl-pyrrolidine
SMILES
C(C)N1C(CCC1)C
Common name
(2S)-1-ethyl-2-methyl-pyrrolidine
IUPAC name
(2S)-1-ethyl-2-methyl-pyrrolidine
SMILES
C(C)N1C(CCC1)C
INCHI
InChI=1S/C7H15N/c1-3-8-6-4-5-7(8)2/h7H,3-6H2,1-2H3/t7-/m0/s1
FORMULA
C7H15N
Common name
(2S)-1-ethyl-2-methyl-pyrrolidine
IUPAC name
(2S)-1-ethyl-2-methyl-pyrrolidine
Molecular weight
113.201
clogP
1.441
clogS
-1.215
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh7_ligand_3_52.mol2 | 3fh7 | 1 | -6.78 | C[C@@H]1CCC[N@@H+]1CC | 8 |
| 2fxr_ligand_2_45.mol2 | 2fxr | 1 | -6.59 | [C@H]1(CC[NH2+]C1)CC | 7 |
| 2fs8_ligand_2_45.mol2 | 2fs8 | 1 | -6.43 | C(C)[C@@H]1CC[NH2+]C1 | 7 |
| 3fh7_ligand_2_22.mol2 | 3fh7 | 0.944444 | -6.47 | C[C@@H]1CCC[N@@H+]1C | 7 |
| 1o0d_ligand_1_1.mol2 | 1o0d | 0.944444 | -6.19 | C1[N@H+]([C@H](CC1)C)C | 7 |
| 2qu6_ligand_1_7.mol2 | 2qu6 | 0.944444 | -5.93 | [N@H+]1(CCC[C@H]1C)C | 7 |
| 4mds_ligand_1_4.mol2 | 4mds | 0.944444 | -5.78 | C[C@H]1CCC[N@@H+]1C | 7 |
| 1szm_ligand_1_0.mol2 | 1szm | 0.944444 | -5.67 | C[C@H]1[N@@H+](C)CCC1 | 7 |
118 ,
12
