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DocumentationIdentifier: MM367374
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367374 |
| SMILES |
CC#CCOCC(=O)CC
|
| InChIKey |
HWDXFGMKQUTLAX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166780
Similarity: 0.8605
Similarity to MM166780
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69523
Similarity: 0.7327
Similarity to MM69523
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8457 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302526
Similarity: 0.7327
Similarity to MM302526
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8457 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+190 more
