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DocumentationIdentifier: MM76719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76719 |
| SMILES |
N#CC(O)C(F)(C#N)C#N
|
| InChIKey |
UHCOUZNTKYPPHC-UHFFFAOYSA-N
|
| MW [Da] |
139.09
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
MM41567
Similarity: 0.8731
Similarity to MM41567
| Tanimoto metric | 0.8731 |
|---|---|
| Cosine metric | 0.9344 |
| Dice metric | 0.9323 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42592
Similarity: 0.7761
Similarity to MM42592
| Tanimoto metric | 0.7761 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.8739 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60443
Similarity: 0.6611
Similarity to MM60443
| Tanimoto metric | 0.6611 |
|---|---|
| Cosine metric | 0.8003 |
| Dice metric | 0.796 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+23 more
