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DocumentationIdentifier: MM275981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM275981 |
| SMILES |
CC(C)C=C(C=O)C(C)O
|
| InChIKey |
QVKCEYOWNDQNDG-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
MM396773
Similarity: 0.7357
Similarity to MM396773
| Tanimoto metric | 0.7357 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8477 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM396741
Similarity: 0.7305
Similarity to MM396741
| Tanimoto metric | 0.7305 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8443 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275982
Similarity: 0.7095
Similarity to MM275982
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.83 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+387 more
