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DocumentationIdentifier: MM133087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133087 |
| SMILES |
C=C(F)CNCC(=C)F
|
| InChIKey |
XVGRFXFGJBQZEU-UHFFFAOYSA-N
|
| MW [Da] |
133.14
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133021
Similarity: 0.7231
Similarity to MM133021
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8393 |
| MW: | 139.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167768
Similarity: 0.662
Similarity to MM167768
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.804 |
| Dice metric | 0.7966 |
| MW: | 139.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM105633
Similarity: 0.6613
Similarity to MM105633
| Tanimoto metric | 0.6613 |
|---|---|
| Cosine metric | 0.7962 |
| Dice metric | 0.7961 |
| MW: | 118.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
