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DocumentationIsoproterenol
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM17755 |
| SMILES |
CC(C)NCC(O)c1ccc(O)c(O)c1
|
| InChIKey |
JWZZKOKVBUJMES-UHFFFAOYSA-N
|
| MW [Da] |
211.26
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
L-epinephrine
Similarity: 0.9164
Similarity to L-epinephrine
| Tanimoto metric | 0.9164 |
|---|---|
| Cosine metric | 0.9573 |
| Dice metric | 0.9564 |
| MW: | 183.21 |
||||
|---|---|---|---|---|---|
| PI: | 12
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 1
Total active interactions
|
Norepinephrine
Similarity: 0.8421
Similarity to Norepinephrine
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 169.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
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|---|---|---|---|---|---|
| AI: | 4
Total active interactions
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Metiprenaline
Similarity: 0.8346
Similarity to Metiprenaline
| Tanimoto metric | 0.8346 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9099 |
| MW: | 225.29 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 2
Total active interactions
|
+19 more
