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DocumentationIdentifier: MM426589
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM426589 |
| SMILES |
C#CC(C#C)C1CN1CC
|
| InChIKey |
FWPPLPRVNPNBTH-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM435804
Similarity: 0.84
Similarity to MM435804
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.913 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435733
Similarity: 0.7903
Similarity to MM435733
| Tanimoto metric | 0.7903 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8829 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195204
Similarity: 0.7834
Similarity to MM195204
| Tanimoto metric | 0.7834 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8786 |
| MW: | 119.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
