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DocumentationIdentifier: MM15893
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15893 |
| SMILES |
C#CC(=O)C(C#C)COC
|
| InChIKey |
GDQAOFAVICWRCC-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15892
Similarity: 0.771
Similarity to MM15892
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53488
Similarity: 0.7405
Similarity to MM53488
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377962
Similarity: 0.6443
Similarity to MM377962
| Tanimoto metric | 0.6443 |
|---|---|
| Cosine metric | 0.7856 |
| Dice metric | 0.7837 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
