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DocumentationIdentifier: MM360591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360591 |
| SMILES |
CC#CC=C(F)CNC=N
|
| InChIKey |
YBMDYPVLTLOXTN-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159035
Similarity: 0.8431
Similarity to MM159035
| Tanimoto metric | 0.8431 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9149 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283807
Similarity: 0.735
Similarity to MM283807
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8473 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360593
Similarity: 0.686
Similarity to MM360593
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8137 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+219 more
