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DocumentationIdentifier: MM47497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47497 |
| SMILES |
C=C(C(C)O)C(C)C=O
|
| InChIKey |
ZIPOQOWVDCAHPI-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72665
Similarity: 0.9068
Similarity to MM72665
| Tanimoto metric | 0.9068 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.9511 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223908
Similarity: 0.8106
Similarity to MM223908
| Tanimoto metric | 0.8106 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8954 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351504
Similarity: 0.8045
Similarity to MM351504
| Tanimoto metric | 0.8045 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8917 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+464 more
