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DocumentationIdentifier: MM396507
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396507 |
| SMILES |
N#CC=COCCC(=O)O
|
| InChIKey |
WFJOKBKLAOLZBS-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242543
Similarity: 0.8293
Similarity to MM242543
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM56287
Similarity: 0.7683
Similarity to MM56287
| Tanimoto metric | 0.7683 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.869 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238509
Similarity: 0.7473
Similarity to MM238509
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8553 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+183 more
