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DocumentationIdentifier: MM411544
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411544 |
| SMILES |
C#CC(C#C)C(=C)OC=O
|
| InChIKey |
FUEUGBUNTQJQJS-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173568
Similarity: 0.8879
Similarity to MM173568
| Tanimoto metric | 0.8879 |
|---|---|
| Cosine metric | 0.9423 |
| Dice metric | 0.9406 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411436
Similarity: 0.6786
Similarity to MM411436
| Tanimoto metric | 0.6786 |
|---|---|
| Cosine metric | 0.8118 |
| Dice metric | 0.8085 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411443
Similarity: 0.6333
Similarity to MM411443
| Tanimoto metric | 0.6333 |
|---|---|
| Cosine metric | 0.7818 |
| Dice metric | 0.7755 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+16 more
