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DocumentationIdentifier: MM368487
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368487 |
| SMILES |
C#CCC(C#C)C(C)CO
|
| InChIKey |
HSFGFQDMGFJKMR-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363631
Similarity: 0.7412
Similarity to MM363631
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376039
Similarity: 0.7158
Similarity to MM376039
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.8351 |
| Dice metric | 0.8344 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400598
Similarity: 0.6796
Similarity to MM400598
| Tanimoto metric | 0.6796 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8092 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+440 more
