Common name
(3R)-3-methylpyrrolidine
IUPAC name
(3R)-3-methylpyrrolidine
SMILES
CC1CNCC1
Common name
(3R)-3-methylpyrrolidine
IUPAC name
(3R)-3-methylpyrrolidine
SMILES
CC1CNCC1
INCHI
InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3/t5-/m1/s1
FORMULA
C5H11N
Common name
(3R)-3-methylpyrrolidine
IUPAC name
(3R)-3-methylpyrrolidine
Molecular weight
85.148
clogP
1.392
clogS
-1.089
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD00369 | Darifenacin |
|
Muscarinic Antagonists; Antispasmodic Agents; Genito Urinary System and Sex Hormones; Drugs for Urinary Frequency and Incontinence; Urological Agents; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of overactive bladder with symptoms of urge urinary incontinence, urgency and frequency. |
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
