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DocumentationIdentifier: MM382460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382460 |
| SMILES |
C=CC(=CC#N)CCC#N
|
| InChIKey |
YWOWNUUJGGBUTD-UHFFFAOYSA-N
|
| MW [Da] |
132.17
Automatically obtained from RDkit software. |
| LogP |
1.93
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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MM179135
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| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM200128
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| Tanimoto metric | 0.8022 |
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| Cosine metric | 0.8957 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM382454
Similarity: 0.7238
Similarity to MM382454
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8398 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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