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DocumentationIdentifier: MM263974
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263974 |
| SMILES |
CC=CC(C)CC(O)C=O
|
| InChIKey |
YVUJULFJRAEYKK-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
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: 0.8
Similarity to MM42793
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79832
Similarity: 0.7304
Similarity to MM79832
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8442 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM377198
Similarity: 0.7143
Similarity to MM377198
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+367 more
