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DocumentationIdentifier: MM414289
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM414289 |
| SMILES |
C=CCNCC(C=C)=CC
|
| InChIKey |
YBKNRLGXJSWECK-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200085
Similarity: 0.907
Similarity to MM200085
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413460
Similarity: 0.8298
Similarity to MM413460
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.907 |
| Dice metric | 0.907 |
| MW: | 139.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382385
Similarity: 0.7921
Similarity to MM382385
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.884 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+505 more
