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DocumentationIdentifier: MM58109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58109 |
| SMILES |
CC#CCC(=N)NCC#N
|
| InChIKey |
LYNVFHROOHHJDT-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM58451
Similarity: 0.8454
Similarity to MM58451
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157071
Similarity: 0.7938
Similarity to MM157071
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281085
Similarity: 0.7333
Similarity to MM281085
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8462 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+301 more
