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DocumentationIdentifier: MM330336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330336 |
| SMILES |
N#CC(C#N)OC(=O)CF
|
| InChIKey |
AXACJKOSTNLYDV-UHFFFAOYSA-N
|
| MW [Da] |
142.09
Automatically obtained from RDkit software. |
| LogP |
-0.09
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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Similarity to MM227046
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8465 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7228 |
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| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM329445
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.8035 |
| Dice metric | 0.7982 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
