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DocumentationIdentifier: MM351523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351523 |
| SMILES |
C#CC(O)C(=N)NCCN
|
| InChIKey |
MTGJTEXCSVHXMQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173534
Similarity: 0.8358
Similarity to MM173534
| Tanimoto metric | 0.8358 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9106 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351525
Similarity: 0.7584
Similarity to MM351525
| Tanimoto metric | 0.7584 |
|---|---|
| Cosine metric | 0.8628 |
| Dice metric | 0.8626 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68388
Similarity: 0.7467
Similarity to MM68388
| Tanimoto metric | 0.7467 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.855 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
