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DocumentationIdentifier: MM247727
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM247727 |
| SMILES |
C=C(C)C(=O)C=C(C)C#N
|
| InChIKey |
XATCQPVGPXDPFS-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48306
Similarity: 0.7438
Similarity to MM48306
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8531 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM134184
Similarity: 0.686
Similarity to MM134184
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8282 |
| Dice metric | 0.8137 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM300866
Similarity: 0.6733
Similarity to MM300866
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8053 |
| Dice metric | 0.8048 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
