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DocumentationIdentifier: MM410960
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM410960 |
| SMILES |
C=CCC(=O)N(C=C)C=C
|
| InChIKey |
JDULZRZRDPXMOG-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.68
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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MM173459
Similarity: 0.8868
Similarity to MM173459
| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53506
Similarity: 0.8113
Similarity to MM53506
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM353674
Similarity: 0.7344
Similarity to MM353674
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.8477 |
| Dice metric | 0.8468 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
