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DocumentationIdentifier: MM361224
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361224 |
| SMILES |
CC#CC=C(F)C#CC#N
|
| InChIKey |
UXQIRBCECZNGJT-UHFFFAOYSA-N
|
| MW [Da] |
133.13
Automatically obtained from RDkit software. |
| LogP |
1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159435
Similarity: 0.9375
Similarity to MM159435
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 119.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292565
Similarity: 0.881
Similarity to MM292565
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9367 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114650
Similarity: 0.7875
Similarity to MM114650
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 109.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
