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DocumentationIdentifier: MM237692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237692 |
| SMILES |
CC(C#CCN)CC(=N)N
|
| InChIKey |
LRQVWYIUPHRCPC-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM237713
Similarity: 0.7345
Similarity to MM237713
| Tanimoto metric | 0.7345 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8469 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221953
Similarity: 0.7155
Similarity to MM221953
| Tanimoto metric | 0.7155 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8342 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264706
Similarity: 0.6975
Similarity to MM264706
| Tanimoto metric | 0.6975 |
|---|---|
| Cosine metric | 0.8238 |
| Dice metric | 0.8218 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
