Common name
3-methyl-1-pyrrolidin-1-yl-butan-1-one
IUPAC name
3-methyl-1-pyrrolidin-1-yl-butan-1-one
SMILES
C(C(C)C)C(=O)N1CCCC1
Common name
3-methyl-1-pyrrolidin-1-yl-butan-1-one
IUPAC name
3-methyl-1-pyrrolidin-1-yl-butan-1-one
SMILES
C(C(C)C)C(=O)N1CCCC1
INCHI
InChI=1S/C9H17NO/c1-8(2)7-9(11)10-5-3-4-6-10/h8H,3-7H2,1-2H3
FORMULA
C9H17NO
Common name
3-methyl-1-pyrrolidin-1-yl-butan-1-one
IUPAC name
3-methyl-1-pyrrolidin-1-yl-butan-1-one
Molecular weight
155.237
clogP
1.750
clogS
-1.487
Frequency
0.0010
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01682 | Daclatasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; CYP3A4 Inhibitors; | Daklinza is used to treat patients who have chronic hepatitis C virus (HCV) genotype 3 infection. Daklinza is typically taken in conjunction with sofosbuvir. (2). |
| FDBD01793 | Ombitasvir |
|
Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; | For use in combination with paritaprevir, ritonavir and dasabuvir for the treatment of HCV genotype 1, and with paritaprevir and ritonavir for the treatment of HCV genotype 4. |
| FDBD01836 | Elbasvir |
|
; |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bcb_ligand_3_0.mol2 | 4bcb | 1 | -6.41 | C(CC(=O)N1CCCC1)C | 10 |
| 4bcb_ligand_4_2.mol2 | 4bcb | 1 | -6.41 | C(C)CC(=O)N1CCCC1 | 10 |
| 3eq9_ligand_3_0.mol2 | 3eq9 | 1 | -6.40 | C(C)CC(=O)N1CCCC1 | 10 |
| 4bcc_ligand_3_0.mol2 | 4bcc | 1 | -6.40 | C(CC)C(=O)N1CCCC1 | 10 |
| 4bcd_ligand_3_0.mol2 | 4bcd | 1 | -6.38 | CCCC(=O)N1CCCC1 | 10 |
160 ,
17
