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DocumentationIdentifier: MM404039
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404039 |
| SMILES |
COCCCC(C#N)C#N
|
| InChIKey |
MQKWQFCHTGRITC-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165936
Similarity: 0.8824
Similarity to MM165936
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199160
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| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM402836
Similarity: 0.7143
Similarity to MM402836
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8346 |
| Dice metric | 0.8333 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+222 more
