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DocumentationIdentifier: MM376513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376513 |
| SMILES |
N#CCC(C#N)C(O)CF
|
| InChIKey |
QQAWZHUUZGQLOJ-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388131
Similarity: 0.6944
Similarity to MM388131
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8197 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376453
Similarity: 0.6897
Similarity to MM376453
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8163 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52185
Similarity: 0.6803
Similarity to MM52185
| Tanimoto metric | 0.6803 |
|---|---|
| Cosine metric | 0.8248 |
| Dice metric | 0.8098 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
