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DocumentationIdentifier: MM456937
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456937 |
| SMILES |
N#CC=CC=COCCF
|
| InChIKey |
KHTRUHDLJNWVEF-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215143
Similarity: 0.8028
Similarity to MM215143
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215601
Similarity: 0.8028
Similarity to MM215601
| Tanimoto metric | 0.8028 |
|---|---|
| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456820
Similarity: 0.6951
Similarity to MM456820
| Tanimoto metric | 0.6951 |
|---|---|
| Cosine metric | 0.8203 |
| Dice metric | 0.8201 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
