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DocumentationIdentifier: MM217340
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217340 |
| SMILES |
C=CC#CC1CN1CC
|
| InChIKey |
ZOVWMCGPLGNFRW-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
MM442446
Similarity: 0.8912
Similarity to MM442446
| Tanimoto metric | 0.8912 |
|---|---|
| Cosine metric | 0.944 |
| Dice metric | 0.9424 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442301
Similarity: 0.8452
Similarity to MM442301
| Tanimoto metric | 0.8452 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.9161 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM442309
Similarity: 0.8137
Similarity to MM442309
| Tanimoto metric | 0.8137 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8973 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
