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DocumentationIdentifier: MM435804
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM435804 |
| SMILES |
C#CCN1CC1C(C)C#C
|
| InChIKey |
YGGNRUHGTYDTDG-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
MM426589
Similarity: 0.84
Similarity to MM426589
| 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: 0.7668
Similarity to MM435733
| Tanimoto metric | 0.7668 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.868 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196066
Similarity: 0.7394
Similarity to MM196066
| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+268 more
