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DocumentationIdentifier: MM290688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290688 |
| SMILES |
C#CC#CC#CC=C(C)F
|
| InChIKey |
NPDADUMSHZHDJB-UHFFFAOYSA-N
|
| MW [Da] |
132.14
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155128
Similarity: 0.9104
Similarity to MM155128
| Tanimoto metric | 0.9104 |
|---|---|
| Cosine metric | 0.9542 |
| Dice metric | 0.9531 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290681
Similarity: 0.8841
Similarity to MM290681
| Tanimoto metric | 0.8841 |
|---|---|
| Cosine metric | 0.9389 |
| Dice metric | 0.9385 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290674
Similarity: 0.7922
Similarity to MM290674
| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8844 |
| Dice metric | 0.8841 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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