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DocumentationIdentifier: MM304511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304511 |
| SMILES |
C#CCC(=CCO)OC=O
|
| InChIKey |
HWKQFIKQWPFYIN-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75323
Similarity: 0.6319
Similarity to MM75323
| Tanimoto metric | 0.6319 |
|---|---|
| Cosine metric | 0.7745 |
| Dice metric | 0.7745 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381583
Similarity: 0.5511
Similarity to MM381583
| Tanimoto metric | 0.5511 |
|---|---|
| Cosine metric | 0.7172 |
| Dice metric | 0.7106 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75922
Similarity: 0.5509
Similarity to MM75922
| Tanimoto metric | 0.5509 |
|---|---|
| Cosine metric | 0.7132 |
| Dice metric | 0.7104 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
