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DocumentationIdentifier: MM39472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39472 |
| SMILES |
N#CC=COCC#N
|
| InChIKey |
UTRGXKYMPOXQPC-UHFFFAOYSA-N
|
| MW [Da] |
108.1
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100888
Similarity: 0.8222
Similarity to MM100888
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100806
Similarity: 0.8222
Similarity to MM100806
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39388
Similarity: 0.6852
Similarity to MM39388
| Tanimoto metric | 0.6852 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.8132 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
