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DocumentationIdentifier: MM79815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM79815 |
| SMILES |
N#CC(C#N)CC(F)CO
|
| InChIKey |
QDRJRSIBVLPTGE-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
MM149822
Similarity: 0.7021
Similarity to MM149822
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226153
Similarity: 0.6774
Similarity to MM226153
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8077 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327724
Similarity: 0.6412
Similarity to MM327724
| Tanimoto metric | 0.6412 |
|---|---|
| Cosine metric | 0.7876 |
| Dice metric | 0.7814 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+146 more
