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DocumentationIdentifier: MM301732
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301732 |
| SMILES |
CC(CNCC#N)C(=N)N
|
| InChIKey |
YQGMYVVDVHRPPT-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162155
Similarity: 0.8172
Similarity to MM162155
| Tanimoto metric | 0.8172 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.8994 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301434
Similarity: 0.7308
Similarity to MM301434
| Tanimoto metric | 0.7308 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8444 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301730
Similarity: 0.6972
Similarity to MM301730
| Tanimoto metric | 0.6972 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8216 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
