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DocumentationIdentifier: MM330802
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330802 |
| SMILES |
C#CC(C#C)NC(=N)CC
|
| InChIKey |
GDUZOAROQYDLML-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142468
Similarity: 0.9072
Similarity to MM142468
| Tanimoto metric | 0.9072 |
|---|---|
| Cosine metric | 0.9525 |
| Dice metric | 0.9514 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262959
Similarity: 0.7788
Similarity to MM262959
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8762 |
| Dice metric | 0.8756 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64525
Similarity: 0.7629
Similarity to MM64525
| Tanimoto metric | 0.7629 |
|---|---|
| Cosine metric | 0.8734 |
| Dice metric | 0.8655 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
