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DocumentationIdentifier: MM47743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47743 |
| SMILES |
CC(C)=C(C)C(=O)CO
|
| InChIKey |
IVYQKXWOBGZYAL-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354579
Similarity: 0.8115
Similarity to MM354579
| Tanimoto metric | 0.8115 |
|---|---|
| Cosine metric | 0.9008 |
| Dice metric | 0.8959 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35952
Similarity: 0.8081
Similarity to MM35952
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51101
Similarity: 0.7069
Similarity to MM51101
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8283 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+533 more
