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DocumentationIdentifier: MM173568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173568 |
| SMILES |
C#CC(C)C(=C)OC=O
|
| InChIKey |
HDYZNRLLXZWURF-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM411544
Similarity: 0.8879
Similarity to MM411544
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9423 |
| Dice metric | 0.9406 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411436
Similarity: 0.7422
Similarity to MM411436
| Tanimoto metric | 0.7422 |
|---|---|
| Cosine metric | 0.8615 |
| Dice metric | 0.852 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411443
Similarity: 0.6884
Similarity to MM411443
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+127 more
