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DocumentationIdentifier: MM272388
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272388 |
| SMILES |
C#CCC(CN)CC(=N)N
|
| InChIKey |
JLVUFOULLRQCJG-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
MM149878
Similarity: 0.7333
Similarity to MM149878
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272387
Similarity: 0.6875
Similarity to MM272387
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.8148 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272207
Similarity: 0.6529
Similarity to MM272207
| Tanimoto metric | 0.6529 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.79 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
