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DocumentationIdentifier: MM442317
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM442317 |
| SMILES |
N#CC#CC1CN1CC#N
|
| InChIKey |
DUWYLDDSCLZAIM-UHFFFAOYSA-N
|
| MW [Da] |
131.14
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM194956
Similarity: 0.8718
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| Tanimoto metric | 0.8718 |
|---|---|
| Cosine metric | 0.9337 |
| Dice metric | 0.9315 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM217342
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| Tanimoto metric | 0.8526 |
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| Cosine metric | 0.9233 |
| Dice metric | 0.9204 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM442450
Similarity: 0.7733
Similarity to MM442450
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8721 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+43 more
