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DocumentationIdentifier: MM254012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254012 |
| SMILES |
C=C(C)C(=C)C(O)C(C)O
|
| InChIKey |
YWVDKIUUZQPZQK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.86
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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MM47552
Similarity: 0.7067
Similarity to MM47552
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8281 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160440
Similarity: 0.7067
Similarity to MM160440
| Tanimoto metric | 0.7067 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8281 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351799
Similarity: 0.7037
Similarity to MM351799
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8261 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
