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DocumentationIdentifier: MM290649
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM290649 |
| SMILES |
CC(C)=CC#CCNC=N
|
| InChIKey |
SSGGUPPJEFVUEG-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM216052
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Similarity to MM216052
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9116 |
| Dice metric | 0.9077 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8028 |
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| Cosine metric | 0.896 |
| Dice metric | 0.8906 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
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MM458647
Similarity: 0.7531
Similarity to MM458647
| Tanimoto metric | 0.7531 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8592 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+371 more
