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DocumentationIdentifier: MM73352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73352 |
| SMILES |
C#CCC=CC(O)C(C)N
|
| InChIKey |
YAUWCYNPOBOSSD-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM163122
Similarity: 0.8131
Similarity to MM163122
| Tanimoto metric | 0.8131 |
|---|---|
| Cosine metric | 0.9017 |
| Dice metric | 0.8969 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305680
Similarity: 0.7565
Similarity to MM305680
| Tanimoto metric | 0.7565 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8614 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38586
Similarity: 0.7185
Similarity to MM38586
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8362 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+590 more
