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DocumentationIdentifier: MM370718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370718 |
| SMILES |
CCN=CNC=C(C)OC
|
| InChIKey |
GKSRQKCZBSLART-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.13
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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MM284966
Similarity: 0.7248
Similarity to MM284966
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8404 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114728
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| Tanimoto metric | 0.6989 |
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| Cosine metric | 0.836 |
| Dice metric | 0.8228 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM65856
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Similarity to MM65856
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
