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DocumentationIdentifier: MM162678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162678 |
| SMILES |
C=C(C)C(=C)CCC#N
|
| InChIKey |
GKQZABZTJKQYDO-UHFFFAOYSA-N
|
| MW [Da] |
121.18
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351913
Similarity: 0.8961
Similarity to MM351913
| Tanimoto metric | 0.8961 |
|---|---|
| Cosine metric | 0.9466 |
| Dice metric | 0.9452 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM352342
Similarity: 0.8214
Similarity to MM352342
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302820
Similarity: 0.7561
Similarity to MM302820
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8611 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
