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DocumentationIdentifier: MM280554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280554 |
| SMILES |
C#CC=CNC(=O)CC#C
|
| InChIKey |
LFNPDRKEQXFFPM-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46349
Similarity: 0.8788
Similarity to MM46349
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9374 |
| Dice metric | 0.9355 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280518
Similarity: 0.7909
Similarity to MM280518
| Tanimoto metric | 0.7909 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8832 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280540
Similarity: 0.7699
Similarity to MM280540
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.87 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+165 more
