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DocumentationIdentifier: MM305961
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305961 |
| SMILES |
CC=CC(C=CC)C(=N)N
|
| InChIKey |
JAPDFSLLKRQAAI-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 |
Similar entries
MM180196
Similarity: 0.9551
Similarity to MM180196
| Tanimoto metric | 0.9551 |
|---|---|
| Cosine metric | 0.9773 |
| Dice metric | 0.977 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395620
Similarity: 0.8095
Similarity to MM395620
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8965 |
| Dice metric | 0.8947 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395622
Similarity: 0.7944
Similarity to MM395622
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8854 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
