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DocumentationIdentifier: MM341336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM341336 |
| SMILES |
C=CC(C=C)CCC(=O)O
|
| InChIKey |
KIJNBGWSQKEHQS-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.84
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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| Tanimoto metric | 0.9146 |
|---|---|
| Cosine metric | 0.9564 |
| Dice metric | 0.9554 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251454
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| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8571 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340841
Similarity: 0.7353
Similarity to MM340841
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8475 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+235 more
