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DocumentationIdentifier: MM161053
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161053 |
| SMILES |
C=CC(N)C(=C)C(=C)C
|
| InChIKey |
JEXDWFSMTOWJDZ-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75078
Similarity: 0.8293
Similarity to MM75078
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352134
Similarity: 0.816
Similarity to MM352134
| Tanimoto metric | 0.816 |
|---|---|
| Cosine metric | 0.9033 |
| Dice metric | 0.8987 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160685
Similarity: 0.7273
Similarity to MM160685
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8421 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+234 more
