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DocumentationIdentifier: MM76772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76772 |
| SMILES |
C#CC(F)C(O)(C#C)C#N
|
| InChIKey |
YELDVTIYBMXRAR-UHFFFAOYSA-N
|
| MW [Da] |
137.11
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139953
Similarity: 0.7709
Similarity to MM139953
| Tanimoto metric | 0.7709 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8707 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41578
Similarity: 0.7151
Similarity to MM41578
| Tanimoto metric | 0.7151 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8339 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76755
Similarity: 0.7042
Similarity to MM76755
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8264 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
