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DocumentationIdentifier: MM370158
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370158 |
| SMILES |
CC(C=O)=CCCCC#N
|
| InChIKey |
IWBQFGSCRHNUPH-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171136
Similarity: 0.8333
Similarity to MM171136
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370152
Similarity: 0.7895
Similarity to MM370152
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8839 |
| Dice metric | 0.8824 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439724
Similarity: 0.75
Similarity to MM439724
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8571 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+674 more
