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DocumentationIdentifier: MM179954
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179954 |
| SMILES |
C=CC(CNC)C(=N)N
|
| InChIKey |
WMWZFLPJELENFS-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.06
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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MM305706
Similarity: 0.7642
Similarity to MM305706
| Tanimoto metric | 0.7642 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM117017
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| Tanimoto metric | 0.7128 |
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| Cosine metric | 0.8443 |
| Dice metric | 0.8323 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108191
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| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.7871 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+228 more
