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DocumentationIdentifier: MM150591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150591 |
| SMILES |
C#CC(=NC)NC(=C)C
|
| InChIKey |
WCRGTYNSVHGRAG-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
0.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM273367
Similarity: 0.806
Similarity to MM273367
| Tanimoto metric | 0.806 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8926 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334620
Similarity: 0.777
Similarity to MM334620
| Tanimoto metric | 0.777 |
|---|---|
| Cosine metric | 0.8815 |
| Dice metric | 0.8745 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM335070
Similarity: 0.766
Similarity to MM335070
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
