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DocumentationIdentifier: MM253216
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253216 |
| SMILES |
C#CCC(C)OC=C(C)F
|
| InChIKey |
BJWAOKSMKDSMTH-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146307
Similarity: 0.7961
Similarity to MM146307
| Tanimoto metric | 0.7961 |
|---|---|
| Cosine metric | 0.8923 |
| Dice metric | 0.8865 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345810
Similarity: 0.7387
Similarity to MM345810
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8497 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156810
Similarity: 0.7379
Similarity to MM156810
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
