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DocumentationIdentifier: MM386604
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386604 |
| SMILES |
C#CCC(CO)NCCN
|
| InChIKey |
XZFWMNJZLLIQGG-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
-1.08
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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MM67623
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Similarity to MM67623
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM258762
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| Tanimoto metric | 0.6891 |
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| Cosine metric | 0.816 |
| Dice metric | 0.8159 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Ethambutol
Similarity: 0.6818
Similarity to Ethambutol
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.8108 |
| MW: | 204.31 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 3
Total active interactions
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+475 more
