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DocumentationIdentifier: MM300962
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300962 |
| SMILES |
CNCC(C)C(C)=C(F)F
|
| InChIKey |
RSPJUHKVROFQBB-UHFFFAOYSA-N
|
| MW [Da] |
149.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM87766
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Similarity to MM87766
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.89 |
| MW: | 131.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85548
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Similarity to MM85548
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8627 |
| MW: | 135.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM354476
Similarity: 0.7068
Similarity to MM354476
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.8282 |
| MW: | 145.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+489 more
