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DocumentationIdentifier: MM76856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76856 |
| SMILES |
CNCC(=CC#N)NC=N
|
| InChIKey |
NFCBIVWJYXOUJU-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM89607
Similarity: 0.6214
Similarity to MM89607
| Tanimoto metric | 0.6214 |
|---|---|
| Cosine metric | 0.7669 |
| Dice metric | 0.7665 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85104
Similarity: 0.5726
Similarity to MM85104
| Tanimoto metric | 0.5726 |
|---|---|
| Cosine metric | 0.7567 |
| Dice metric | 0.7283 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178955
Similarity: 0.5448
Similarity to MM178955
| Tanimoto metric | 0.5448 |
|---|---|
| Cosine metric | 0.7114 |
| Dice metric | 0.7053 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
