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DocumentationIdentifier: MM446300
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM446300 |
| SMILES |
CCCC#CC1C(C)N1C
|
| InChIKey |
WOSXBWJVTWVPRT-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.49
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: 0.9716
Similarity to MM212770
| Tanimoto metric | 0.9716 |
|---|---|
| Cosine metric | 0.9857 |
| Dice metric | 0.9856 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446375
Similarity: 0.8839
Similarity to MM446375
| Tanimoto metric | 0.8839 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9384 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124224
Similarity: 0.8794
Similarity to MM124224
| Tanimoto metric | 0.8794 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9358 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
