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DocumentationIdentifier: MM447030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447030 |
| SMILES |
C#CC1C(C#CCC)N1C
|
| InChIKey |
OEMZSOQKQGNYAC-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM212770
Similarity: 0.8839
Similarity to MM212770
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9384 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446300
Similarity: 0.8616
Similarity to MM446300
| Tanimoto metric | 0.8616 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.9257 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446375
Similarity: 0.8434
Similarity to MM446375
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.915 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
