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DocumentationIdentifier: MM281356
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281356 |
| SMILES |
C=C(C#CC)CC#CC=O
|
| InChIKey |
JRHWSGLFPAPDQX-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169313
Similarity: 0.8947
Similarity to MM169313
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158616
Similarity: 0.8049
Similarity to MM158616
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8922 |
| Dice metric | 0.8919 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282939
Similarity: 0.7816
Similarity to MM282939
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8774 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+767 more
