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DocumentationIdentifier: MM274438
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274438 |
| SMILES |
C=CC(=CC(C)C)NC=N
|
| InChIKey |
YWRZXEGLPDVDJO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136415
Similarity: 0.7364
Similarity to MM136415
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6917 |
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| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM90076
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Similarity to MM90076
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
