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DocumentationIdentifier: MM158046
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158046 |
| SMILES |
C=C(C=CC#N)NC=N
|
| InChIKey |
FTJZTWCYEONDLQ-UHFFFAOYSA-N
|
| MW [Da] |
121.14
Automatically obtained from RDkit software. |
| LogP |
0.78
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107642
Similarity: 0.775
Similarity to MM107642
| Tanimoto metric | 0.775 |
|---|---|
| Cosine metric | 0.8803 |
| Dice metric | 0.8732 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356912
Similarity: 0.7143
Similarity to MM356912
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157430
Similarity: 0.6526
Similarity to MM157430
| Tanimoto metric | 0.6526 |
|---|---|
| Cosine metric | 0.79 |
| Dice metric | 0.7898 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
