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DocumentationIdentifier: MM132064
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132064 |
| SMILES |
C#CCC(C)C(C)(C)F
|
| InChIKey |
JPXDBIGNVQPIGP-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
2.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241956
Similarity: 0.7745
Similarity to MM241956
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108136
Similarity: 0.7342
Similarity to MM108136
| Tanimoto metric | 0.7342 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8467 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102786
Similarity: 0.6582
Similarity to MM102786
| Tanimoto metric | 0.6582 |
|---|---|
| Cosine metric | 0.8113 |
| Dice metric | 0.7939 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+458 more
