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DocumentationIdentifier: MM453053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM453053 |
| SMILES |
C=CC=CN=CNCC#N
|
| InChIKey |
FJJWWSUSYUAMTL-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56723
Similarity: 0.8592
Similarity to MM56723
| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290458
Similarity: 0.7439
Similarity to MM290458
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8531 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452773
Similarity: 0.7349
Similarity to MM452773
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8473 |
| Dice metric | 0.8472 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
