Common name
1-phenylpyrrolidine
IUPAC name
1-phenylpyrrolidine
SMILES
c1cc(ccc1)N2CCCC2
Common name
1-phenylpyrrolidine
IUPAC name
1-phenylpyrrolidine
SMILES
c1cc(ccc1)N2CCCC2
INCHI
InChI=1S/C10H13N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-7H,4-5,8-9H2
FORMULA
C10H13N
Common name
1-phenylpyrrolidine
IUPAC name
1-phenylpyrrolidine
Molecular weight
147.217
clogP
2.415
clogS
-2.064
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
3.24
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| 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. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lvt_ligand_5_2336.mol2 | 4lvt | 0.848485 | -5.87 | CC[C@@H](Nc1ccccc1)C | 11 |
| 4zom_ligand_1_2.mol2 | 4zom | 0.846154 | -7.36 | N1(C[C@@H]2C[C@@H]2C1)c1ccccc1 | 12 |
| 1ciz_ligand_1_0.mol2 | 1ciz | 0.842105 | -7.72 | c1c(cccc1)N1CCCCC1 | 12 |
| 1b8y_ligand_1_0.mol2 | 1b8y | 0.842105 | -7.70 | c1(ccccc1)N1CCCCC1 | 12 |
| 1caq_ligand_1_2.mol2 | 1caq | 0.842105 | -7.69 | N1(CCCCC1)c1ccccc1 | 12 |
| 4n6y_ligand_1_1.mol2 | 4n6y | 0.842105 | -7.45 | c1c(cccc1)N1CCCCC1 | 12 |
| 2r64_ligand_1_0.mol2 | 2r64 | 0.842105 | -6.48 | C1N(CCCC1)c1ccccc1 | 12 |
102 ,
11
