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DocumentationIdentifier: MM274420
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274420 |
| SMILES |
C=CC(=CC(C)C)CC#N
|
| InChIKey |
OVYCKPORIAARBQ-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.67
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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MM179195
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| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386294
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Similarity to MM386294
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8475 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM386179
Similarity: 0.7282
Similarity to MM386179
| Tanimoto metric | 0.7282 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8427 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
