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DocumentationIdentifier: MM139515
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM139515 |
| SMILES |
C=CC(C)(C#N)CCC
|
| InChIKey |
BATHXOHUWWJNIF-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
2.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM229143
Similarity: 0.8824
Similarity to MM229143
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309374
Similarity: 0.8721
Similarity to MM309374
| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM309370
Similarity: 0.8721
Similarity to MM309370
| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+736 more
