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DocumentationIdentifier: MM163704
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163704 |
| SMILES |
C#CC#CC(=C)C(C)O
|
| InChIKey |
DBQWSAXRCAUKGN-UHFFFAOYSA-N
|
| MW [Da] |
120.15
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
MM294685
Similarity: 0.8952
Similarity to MM294685
| Tanimoto metric | 0.8952 |
|---|---|
| Cosine metric | 0.9462 |
| Dice metric | 0.9447 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359204
Similarity: 0.8034
Similarity to MM359204
| Tanimoto metric | 0.8034 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.891 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108765
Similarity: 0.7979
Similarity to MM108765
| Tanimoto metric | 0.7979 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8876 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+654 more
