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DocumentationIdentifier: MM95272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95272 |
| SMILES |
C#CC(=O)C(C#CC)CO
|
| InChIKey |
QQSFFALDRFYKNB-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52380
Similarity: 0.7857
Similarity to MM52380
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53488
Similarity: 0.7698
Similarity to MM53488
| Tanimoto metric | 0.7698 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174660
Similarity: 0.6587
Similarity to MM174660
| Tanimoto metric | 0.6587 |
|---|---|
| Cosine metric | 0.8116 |
| Dice metric | 0.7943 |
| MW: | 120.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
