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DocumentationIdentifier: MM263387
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263387 |
| SMILES |
C=CCC(=C)NC(=N)CO
|
| InChIKey |
LPYWEAZMFXPZFE-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.64
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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MM88838
Similarity: 0.8359
Similarity to MM88838
| Tanimoto metric | 0.8359 |
|---|---|
| Cosine metric | 0.9143 |
| Dice metric | 0.9106 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135632
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| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.852 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263095
Similarity: 0.7365
Similarity to MM263095
| Tanimoto metric | 0.7365 |
|---|---|
| Cosine metric | 0.8483 |
| Dice metric | 0.8482 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+372 more
