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DocumentationIdentifier: MM417805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417805 |
| SMILES |
C#CC(C=O)N1CC1C#C
|
| InChIKey |
YIFBZULISFJQJR-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.5
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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MM412018
Similarity: 0.8373
Similarity to MM412018
| Tanimoto metric | 0.8373 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.9115 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365093
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| Tanimoto metric | 0.7892 |
|---|---|
| Cosine metric | 0.8822 |
| Dice metric | 0.8822 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM435398
Similarity: 0.7433
Similarity to MM435398
| Tanimoto metric | 0.7433 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8528 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
