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DocumentationIdentifier: MM373076
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373076 |
| SMILES |
C#CC(C)CN=CNC=C
|
| InChIKey |
QXSWUTUJZTVRNQ-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258956
Similarity: 0.7528
Similarity to MM258956
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.859 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153593
Similarity: 0.725
Similarity to MM153593
| Tanimoto metric | 0.725 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8406 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363881
Similarity: 0.6392
Similarity to MM363881
| Tanimoto metric | 0.6392 |
|---|---|
| Cosine metric | 0.7799 |
| Dice metric | 0.7799 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+204 more
