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DocumentationIdentifier: MM172030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172030 |
| SMILES |
C#CCC(O)C(N)CN
|
| InChIKey |
XXDHPYPTTWBFSF-UHFFFAOYSA-N
|
| MW [Da] |
128.18
Automatically obtained from RDkit software. |
| LogP |
-1.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292703
Similarity: 0.7698
Similarity to MM292703
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73852
Similarity: 0.7113
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| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348477
Similarity: 0.7029
Similarity to MM348477
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8255 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+438 more
