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DocumentationIdentifier: MM172526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172526 |
| SMILES |
N#CCC(F)C(=O)CO
|
| InChIKey |
NRFZULBMLRWJJC-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.2
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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MM02671
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| Tanimoto metric | 0.782 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8776 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7308 |
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| Cosine metric | 0.8549 |
| Dice metric | 0.8444 |
| MW: | 120.12 |
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM233392
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Similarity to MM233392
| Tanimoto metric | 0.6582 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.7939 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
