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DocumentationIdentifier: MM378846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378846 |
| SMILES |
C#CC(=C)C(C#N)OC=O
|
| InChIKey |
ZLSLHPVXKRVYSK-UHFFFAOYSA-N
|
| MW [Da] |
135.12
Automatically obtained from RDkit software. |
| LogP |
0.24
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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MM172859
Similarity: 0.7181
Similarity to MM172859
| Tanimoto metric | 0.7181 |
|---|---|
| Cosine metric | 0.8474 |
| Dice metric | 0.8359 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378708
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| Tanimoto metric | 0.6257 |
|---|---|
| Cosine metric | 0.77 |
| Dice metric | 0.7698 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM295348
Similarity: 0.6136
Similarity to MM295348
| Tanimoto metric | 0.6136 |
|---|---|
| Cosine metric | 0.7615 |
| Dice metric | 0.7606 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+41 more
