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DocumentationIdentifier: MM79832
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79832 |
| SMILES |
C=CC(C=C)CC(O)C=O
|
| InChIKey |
PDOIQPIQPYJHSZ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42793
Similarity: 0.8936
Similarity to MM42793
| Tanimoto metric | 0.8936 |
|---|---|
| Cosine metric | 0.9453 |
| Dice metric | 0.9438 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263974
Similarity: 0.7304
Similarity to MM263974
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8442 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381137
Similarity: 0.7021
Similarity to MM381137
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
