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DocumentationIdentifier: MM70318
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70318 |
| SMILES |
C#CC(=N)NC(=C)C=C
|
| InChIKey |
FWQLXYPNROIPES-UHFFFAOYSA-N
|
| MW [Da] |
120.16
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM264591
Similarity: 0.824
Similarity to MM264591
| Tanimoto metric | 0.824 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9035 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334517
Similarity: 0.741
Similarity to MM334517
| Tanimoto metric | 0.741 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8512 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334620
Similarity: 0.741
Similarity to MM334620
| Tanimoto metric | 0.741 |
|---|---|
| Cosine metric | 0.8608 |
| Dice metric | 0.8512 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+239 more
