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DocumentationIdentifier: MM40978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40978 |
| SMILES |
CNC(C#N)C(F)COC
|
| InChIKey |
NKPKHYVOLNCXMC-UHFFFAOYSA-N
|
| MW [Da] |
146.17
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM66454
Similarity: 0.7843
Similarity to MM66454
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65089
Similarity: 0.6722
Similarity to MM65089
| Tanimoto metric | 0.6722 |
|---|---|
| Cosine metric | 0.8041 |
| Dice metric | 0.804 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45136
Similarity: 0.5556
Similarity to MM45136
| Tanimoto metric | 0.5556 |
|---|---|
| Cosine metric | 0.7454 |
| Dice metric | 0.7143 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
