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DocumentationIdentifier: MM246282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246282 |
| SMILES |
C=C(NC(=N)CO)C(C)C
|
| InChIKey |
JROINGJSBQSDQW-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.72
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: 0.8168
Similarity to MM88838
| Tanimoto metric | 0.8168 |
|---|---|
| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133886
Similarity: 0.7405
Similarity to MM133886
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263095
Similarity: 0.7105
Similarity to MM263095
| Tanimoto metric | 0.7105 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8308 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
