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DocumentationIdentifier: MM170614
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170614 |
| SMILES |
O=C(C#CCCO)CO
|
| InChIKey |
LENDWVGWPBIUSN-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114572
Similarity: 0.9032
Similarity to MM114572
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM323661
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| Tanimoto metric | 0.8986 |
|---|---|
| Cosine metric | 0.9479 |
| Dice metric | 0.9466 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146162
Similarity: 0.8696
Similarity to MM146162
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9309 |
| Dice metric | 0.9302 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+634 more
