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DocumentationIdentifier: MM157303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157303 |
| SMILES |
C=C(C=CC)CNC=N
|
| InChIKey |
ZDNFPHZGTLHFJZ-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.32
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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MM357740
Similarity: 0.8778
Similarity to MM357740
| Tanimoto metric | 0.8778 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.9349 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279434
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| Tanimoto metric | 0.8495 |
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| Cosine metric | 0.9217 |
| Dice metric | 0.9186 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357871
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Similarity to MM357871
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
