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DocumentationIdentifier: MM386179
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386179 |
| SMILES |
C=CC(=CCCC)CC#N
|
| InChIKey |
ORIINJKNKVBGCU-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179195
Similarity: 0.8621
Similarity to MM179195
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386294
Similarity: 0.8404
Similarity to MM386294
| Tanimoto metric | 0.8404 |
|---|---|
| Cosine metric | 0.9133 |
| Dice metric | 0.9133 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM438299
Similarity: 0.8111
Similarity to MM438299
| Tanimoto metric | 0.8111 |
|---|---|
| Cosine metric | 0.8978 |
| Dice metric | 0.8957 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+586 more
