Common name
(3S)-1,3-dimethylpyrrolidine
IUPAC name
(3S)-1,3-dimethylpyrrolidine
SMILES
CC1CN(CC1)C
Common name
(3S)-1,3-dimethylpyrrolidine
IUPAC name
(3S)-1,3-dimethylpyrrolidine
SMILES
CC1CN(CC1)C
INCHI
InChI=1S/C6H13N/c1-6-3-4-7(2)5-6/h6H,3-5H2,1-2H3/t6-/m0/s1
FORMULA
C6H13N
Common name
(3S)-1,3-dimethylpyrrolidine
IUPAC name
(3S)-1,3-dimethylpyrrolidine
Molecular weight
99.174
clogP
1.166
clogS
-0.788
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00759 | Methdilazine |
|
Histamine Antagonists; Respiratory System; Antihistamines for Systemic Use; Phenothiazine Derivatives; | Used for the symptomatic relief of hypersensitivity reactions and particularly for the control of pruritic skin disorders. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2fxr_ligand_1_6.mol2 | 2fxr | 1 | -6.46 | [C@H]1(CC[NH2+]C1)C | 6 |
| 5alm_ligand_1_4.mol2 | 5alm | 1 | -6.41 | C[N@@H+]1CC[C@@H](C1)C | 7 |
| 1li6_ligand_frag_0.mol2 | 1li6 | 1 | -6.38 | [C@H]1(CC[NH2+]C1)C | 6 |
| 5alm_ligand_frag_2.mol2 | 5alm | 1 | -6.38 | C1C[NH2+]C[C@H]1C | 6 |
| 2fs8_ligand_1_6.mol2 | 2fs8 | 1 | -6.35 | C[C@@H]1CC[NH2+]C1 | 6 |
| 1nzq_ligand_1_1.mol2 | 1nzq | 1 | -6.22 | C[C@H]1C[N@@H+](CC1)C | 7 |
| 3jsw_ligand_1_2.mol2 | 3jsw | 1 | -6.19 | C[N@@H+]1CC[C@@H](C1)C | 7 |
| 3jsw_ligand_frag_2.mol2 | 3jsw | 1 | -6.08 | C1C[NH2+]C[C@H]1C | 6 |
| 4ryc_ligand_1_9.mol2 | 4ryc | 1 | -5.97 | C[C@@H]1C[NH2+]CC1 | 6 |
| 4gj7_ligand_1_5.mol2 | 4gj7 | 1 | -5.94 | C1[C@@H](C[NH2+]C1)C | 6 |
146 ,
15
