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DocumentationIdentifier: MM304271
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304271 |
| SMILES |
C=CC=CCC(C)C(=N)N
|
| InChIKey |
LODJVNSFDGETRC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.69
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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MM162845
Similarity: 0.871
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| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.9333 |
| Dice metric | 0.931 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM255905
Similarity: 0.757
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| Tanimoto metric | 0.757 |
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| Cosine metric | 0.8618 |
| Dice metric | 0.8617 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM304083
Similarity: 0.7455
Similarity to MM304083
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8546 |
| Dice metric | 0.8542 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
