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DocumentationIdentifier: MM241728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241728 |
| SMILES |
CC#CC#CC(C)(F)CC
|
| InChIKey |
PECKJPDNLKDHDI-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139053
Similarity: 0.8737
Similarity to MM139053
| Tanimoto metric | 0.8737 |
|---|---|
| Cosine metric | 0.9347 |
| Dice metric | 0.9326 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234406
Similarity: 0.7034
Similarity to MM234406
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8259 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235562
Similarity: 0.7034
Similarity to MM235562
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.8271 |
| Dice metric | 0.8259 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+400 more
