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DocumentationIdentifier: MM330841
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330841 |
| SMILES |
C#CC(C#C)OC(=O)C=C
|
| InChIKey |
VRXIYPQYEPZLOV-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142503
Similarity: 0.9029
Similarity to MM142503
| Tanimoto metric | 0.9029 |
|---|---|
| Cosine metric | 0.9502 |
| Dice metric | 0.949 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264414
Similarity: 0.7705
Similarity to MM264414
| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8704 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264747
Similarity: 0.746
Similarity to MM264747
| Tanimoto metric | 0.746 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8545 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
