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DocumentationIdentifier: MM348503
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348503 |
| SMILES |
C=CCCC(O)C(N)C=C
|
| InChIKey |
BUDMIYHFFYWVHL-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM268364
Similarity: 0.75
Similarity to MM268364
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8571 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59838
Similarity: 0.6981
Similarity to MM59838
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8222 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268365
Similarity: 0.6978
Similarity to MM268365
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8263 |
| Dice metric | 0.822 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
