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DocumentationIdentifier: MM242295
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242295 |
| SMILES |
C=C(OC=O)C(C)(C)OC
|
| InChIKey |
NCXHPVUTERCBET-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
1.1
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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MM173171
Similarity: 0.7194
Similarity to MM173171
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8368 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM409479
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| Tanimoto metric | 0.5848 |
|---|---|
| Cosine metric | 0.7383 |
| Dice metric | 0.738 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM61157
Similarity: 0.5767
Similarity to MM61157
| Tanimoto metric | 0.5767 |
|---|---|
| Cosine metric | 0.7332 |
| Dice metric | 0.7315 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
