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DocumentationIdentifier: MM302337
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM302337 |
| SMILES |
C=C(CCNC=N)C(C)O
|
| InChIKey |
XCFNLTVGPPLYKE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.51
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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MM83964
Similarity: 0.8241
Similarity to MM83964
| Tanimoto metric | 0.8241 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166591
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| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8387 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350088
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Similarity to MM350088
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8165 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
