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DocumentationIdentifier: MM292414
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292414 |
| SMILES |
C#CCOCC(=O)OC=C
|
| InChIKey |
YFVVTTLBVXLPHR-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156418
Similarity: 0.8276
Similarity to MM156418
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48677
Similarity: 0.7701
Similarity to MM48677
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292347
Similarity: 0.766
Similarity to MM292347
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8685 |
| Dice metric | 0.8675 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
