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DocumentationIdentifier: MM173577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173577 |
| SMILES |
C#CCC(=O)C(C)C#C
|
| InChIKey |
JHUBPPYTENKAJM-UHFFFAOYSA-N
|
| MW [Da] |
120.15
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM112047
Similarity: 0.8571
Similarity to MM112047
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160944
Similarity: 0.8421
Similarity to MM160944
| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9143 |
| Dice metric | 0.9143 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108448
Similarity: 0.7429
Similarity to MM108448
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+457 more
