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DocumentationIdentifier: MM375035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM375035 |
| SMILES |
C#CC(=O)NC=CC=CC
|
| InChIKey |
OYBMYGUBOHTTSZ-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
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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MM36752
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| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8534 |
| Dice metric | 0.8428 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288914
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| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8391 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM288890
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Similarity to MM288890
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8363 |
| Dice metric | 0.8313 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
