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DocumentationIdentifier: MM452749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM452749 |
| SMILES |
CCC=CCC=CNC=N
|
| InChIKey |
ZQIIZBQCVVJIOW-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.05
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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MM215333
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| Tanimoto metric | 0.9016 |
|---|---|
| Cosine metric | 0.9495 |
| Dice metric | 0.9483 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126683
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| Tanimoto metric | 0.7377 |
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| Cosine metric | 0.8589 |
| Dice metric | 0.8491 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM453023
Similarity: 0.7333
Similarity to MM453023
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8462 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+434 more
