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DocumentationIdentifier: MM282719
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282719 |
| SMILES |
C#CCC#CC(C)CC#N
|
| InChIKey |
YUXPSPMHZXQCTH-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158373
Similarity: 0.8529
Similarity to MM158373
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282660
Similarity: 0.8056
Similarity to MM282660
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8923 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252643
Similarity: 0.8056
Similarity to MM252643
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8923 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
