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DocumentationIdentifier: MM358632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358632 |
| SMILES |
C#CC(=C)C(O)C#CCC
|
| InChIKey |
WQUMTHHHDLBEDV-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174661
Similarity: 0.8609
Similarity to MM174661
| Tanimoto metric | 0.8609 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295810
Similarity: 0.824
Similarity to MM295810
| Tanimoto metric | 0.824 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.9035 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358663
Similarity: 0.811
Similarity to MM358663
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8957 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
