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DocumentationIdentifier: MM73322
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM73322 |
| SMILES |
CC#CC(F)(CO)CCN
|
| InChIKey |
MZMQWCMFALIYLO-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139465
Similarity: 0.7655
Similarity to MM139465
| Tanimoto metric | 0.7655 |
|---|---|
| Cosine metric | 0.8749 |
| Dice metric | 0.8672 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM311673
Similarity: 0.6646
Similarity to MM311673
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.8001 |
| Dice metric | 0.7985 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63258
Similarity: 0.6614
Similarity to MM63258
| Tanimoto metric | 0.6614 |
|---|---|
| Cosine metric | 0.7985 |
| Dice metric | 0.7962 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
