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DocumentationIdentifier: MM455526
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM455526 |
| SMILES |
O=COC=CC#CC=CF
|
| InChIKey |
NRVJPYOHGKEJHD-UHFFFAOYSA-N
|
| MW [Da] |
140.11
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215849
Similarity: 0.7971
Similarity to MM215849
| Tanimoto metric | 0.7971 |
|---|---|
| Cosine metric | 0.8928 |
| Dice metric | 0.8871 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126786
Similarity: 0.7246
Similarity to MM126786
| Tanimoto metric | 0.7246 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8403 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455524
Similarity: 0.6962
Similarity to MM455524
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8213 |
| Dice metric | 0.8209 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
