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DocumentationIdentifier: MM441538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441538 |
| SMILES |
C#CC=CC1CN1CC=C
|
| InChIKey |
ISMOSKUOCRQQDD-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217124
Similarity: 0.8936
Similarity to MM217124
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194900
Similarity: 0.8156
Similarity to MM194900
| Tanimoto metric | 0.8156 |
|---|---|
| Cosine metric | 0.9031 |
| Dice metric | 0.8984 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447691
Similarity: 0.7931
Similarity to MM447691
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8846 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
