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DocumentationIdentifier: MM290639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290639 |
| SMILES |
C=CC#CC=CC=C(F)F
|
| InChIKey |
IYXWNXVRBOULGD-UHFFFAOYSA-N
|
| MW [Da] |
140.13
Automatically obtained from RDkit software. |
| LogP |
2.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155089
Similarity: 0.9483
Similarity to MM155089
| Tanimoto metric | 0.9483 |
|---|---|
| Cosine metric | 0.9738 |
| Dice metric | 0.9735 |
| MW: | 128.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215890
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Similarity to MM215890
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM290646
Similarity: 0.8088
Similarity to MM290646
| Tanimoto metric | 0.8088 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8943 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
