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DocumentationIdentifier: MM215890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215890 |
| SMILES |
C=CC#CC=CC=CF
|
| InChIKey |
RQUZHJROPCQCED-UHFFFAOYSA-N
|
| MW [Da] |
122.14
Automatically obtained from RDkit software. |
| LogP |
2.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM455636
Similarity: 0.9592
Similarity to MM455636
| Tanimoto metric | 0.9592 |
|---|---|
| Cosine metric | 0.9794 |
| Dice metric | 0.9792 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126800
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| Tanimoto metric | 0.9362 |
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| Cosine metric | 0.9676 |
| Dice metric | 0.967 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM290639
Similarity: 0.8103
Similarity to MM290639
| Tanimoto metric | 0.8103 |
|---|---|
| Cosine metric | 0.9002 |
| Dice metric | 0.8952 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
