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DocumentationIdentifier: MM167731
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167731 |
| SMILES |
C#CC(=O)NCC#CC
|
| InChIKey |
FCXRYQUHNKJBKI-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM371225
Similarity: 0.8947
Similarity to MM371225
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371278
Similarity: 0.8831
Similarity to MM371278
| Tanimoto metric | 0.8831 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157578
Similarity: 0.8421
Similarity to MM157578
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9143 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
