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DocumentationIdentifier: MM451748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451748 |
| SMILES |
N#CCC=CCOCC#N
|
| InChIKey |
ICDPWYPRFMBPEZ-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213781
Similarity: 0.8462
Similarity to MM213781
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214808
Similarity: 0.8462
Similarity to MM214808
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451744
Similarity: 0.7534
Similarity to MM451744
| Tanimoto metric | 0.7534 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8594 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
