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DocumentationIdentifier: MM167650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167650 |
| SMILES |
CC#CCCC(F)CC
|
| InChIKey |
HOFZKOFLBGZPPY-UHFFFAOYSA-N
|
| MW [Da] |
128.19
Automatically obtained from RDkit software. |
| LogP |
2.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM370203
Similarity: 0.9677
Similarity to MM370203
| Tanimoto metric | 0.9677 |
|---|---|
| Cosine metric | 0.9837 |
| Dice metric | 0.9836 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370385
Similarity: 0.8451
Similarity to MM370385
| Tanimoto metric | 0.8451 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.916 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153413
Similarity: 0.8065
Similarity to MM153413
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.8951 |
| Dice metric | 0.8929 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+788 more
