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DocumentationIdentifier: MM350367
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350367 |
| SMILES |
N#CCCC(=O)C(O)CO
|
| InChIKey |
YLFJJYITGJMRQI-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM47954
Similarity: 0.7658
Similarity to MM47954
| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172911
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| Tanimoto metric | 0.7658 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.8673 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM351107
Similarity: 0.6489
Similarity to MM351107
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.7873 |
| Dice metric | 0.787 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
