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DocumentationIdentifier: MM217124
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217124 |
| SMILES |
C#CC=CC1CN1CC
|
| InChIKey |
IOPROUAIWYRHTD-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM441538
Similarity: 0.8936
Similarity to MM441538
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441610
Similarity: 0.8344
Similarity to MM441610
| Tanimoto metric | 0.8344 |
|---|---|
| Cosine metric | 0.9135 |
| Dice metric | 0.9097 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127972
Similarity: 0.7937
Similarity to MM127972
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.885 |
| MW: | 111.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
