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DocumentationIdentifier: MM346081
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346081 |
| SMILES |
N#CC(C#N)OC=C(F)F
|
| InChIKey |
VOZXRCYPQZDOOI-UHFFFAOYSA-N
|
| MW [Da] |
144.08
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146346
Similarity: 0.9
Similarity to MM146346
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199630
Similarity: 0.825
Similarity to MM199630
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 126.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228804
Similarity: 0.7423
Similarity to MM228804
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8533 |
| Dice metric | 0.8521 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
