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DocumentationIdentifier: MM367376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367376 |
| SMILES |
CC#CCOCC(=O)CO
|
| InChIKey |
SDVWMTHMZNPBRF-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48675
Similarity: 0.85
Similarity to MM48675
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287880
Similarity: 0.7586
Similarity to MM287880
| Tanimoto metric | 0.7586 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8627 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM367447
Similarity: 0.6907
Similarity to MM367447
| Tanimoto metric | 0.6907 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8171 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+226 more
