Common name
2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
IUPAC name
2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
SMILES
CN1CC(CC1)CC(=O)N
Common name
2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
IUPAC name
2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
SMILES
CN1CC(CC1)CC(=O)N
INCHI
InChI=1S/C7H14N2O/c1-9-3-2-6(5-9)4-7(8)10/h6H,2-5H2,1H3,(H2,8,10)/t6-/m0/s1
FORMULA
C7H14N2O
Common name
2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
IUPAC name
2-[(3S)-1-methylpyrrolidin-3-yl]acetamide
Molecular weight
142.199
clogP
0.110
clogS
-0.451
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
46.33
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 4ow0_ligand_2_7.mol2 | 4ow0 | 0.83871 | -6.84 | C(C)[N@@H+]1CC[C@@H](C(=O)N)CC1 | 11 |
| 3mj5_ligand_2_4.mol2 | 3mj5 | 0.83871 | -6.66 | C(=O)(N)[C@H]1CC[N@H+](CC1)CC | 11 |
| 4nze_ligand_2_42.mol2 | 4nze | 0.83871 | -6.47 | [C@H]1(CC[N@H+](CC1)C(C)C)C(=O)N | 12 |
| 4n3l_ligand_2_0.mol2 | 4n3l | 0.83871 | -6.46 | C(C)(C)[N@@H+]1CC[C@@H](CC1)C(=O)N | 12 |
| 4wpn_ligand_2_14.mol2 | 4wpn | 0.83871 | -6.14 | C(=O)(N)[C@@H]1CC[N@@H+](CC1)C | 10 |
| 1db5_ligand_3_22.mol2 | 1db5 | 0.833333 | -7.85 | C1CC[C@@H]2[C@H](C1)[C@H]([C@@H]([N@H+]2C)C)CC(=O)N | 15 |
| 1db4_ligand_3_28.mol2 | 1db4 | 0.833333 | -7.82 | C([C@H]1[C@@H]2[C@@H](CCCC2)[N@H+]([C@H]1C)C)C(=O)N | 15 |
101 ,
11
