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DocumentationIdentifier: MM15977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15977 |
| SMILES |
C=CC(C)OC(=O)CC=O
|
| InChIKey |
RIGDBGSSJDCPMW-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142290
Similarity: 0.8318
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| Tanimoto metric | 0.8318 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9082 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330320
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| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8647 |
| Dice metric | 0.8641 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262867
Similarity: 0.7355
Similarity to MM262867
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8476 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
