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DocumentationIdentifier: MM403083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403083 |
| SMILES |
COCCNC(C#N)CF
|
| InChIKey |
URDNHFDIHCLKAT-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
MM288873
Similarity: 0.8367
Similarity to MM288873
| Tanimoto metric | 0.8367 |
|---|---|
| Cosine metric | 0.9147 |
| Dice metric | 0.9111 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43973
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Similarity to MM43973
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363705
Similarity: 0.6321
Similarity to MM363705
| Tanimoto metric | 0.6321 |
|---|---|
| Cosine metric | 0.7815 |
| Dice metric | 0.7746 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
