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DocumentationIdentifier: MM131761
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131761 |
| SMILES |
CCC#CCC(C)(F)F
|
| InChIKey |
CDOCZAORLNFVOS-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
2.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM232680
Similarity: 0.9412
Similarity to MM232680
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102820
Similarity: 0.875
Similarity to MM102820
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM232700
Similarity: 0.8649
Similarity to MM232700
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+647 more
