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DocumentationIdentifier: MM266031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266031 |
| SMILES |
C=CC=C(C)OC(=O)CC
|
| InChIKey |
ZFJQFEGBGQGCLE-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM136124
Similarity: 0.7623
Similarity to MM136124
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265924
Similarity: 0.7092
Similarity to MM265924
| Tanimoto metric | 0.7092 |
|---|---|
| Cosine metric | 0.8299 |
| Dice metric | 0.8299 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247199
Similarity: 0.7042
Similarity to MM247199
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8264 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+327 more
