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DocumentationIdentifier: MM282741
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282741 |
| SMILES |
C#CCC(N)C#CCC=C
|
| InChIKey |
SYGRVAPZSWIHGI-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170482
Similarity: 0.8481
Similarity to MM170482
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281339
Similarity: 0.8
Similarity to MM281339
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8889 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375949
Similarity: 0.7882
Similarity to MM375949
| Tanimoto metric | 0.7882 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8816 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
