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DocumentationIdentifier: MM432614
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432614 |
| SMILES |
N#CCC(O)C(O)C(=O)O
|
| InChIKey |
SLUPBCCLZXSOPI-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
-1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM299912
Similarity: 0.6887
Similarity to MM299912
| Tanimoto metric | 0.6887 |
|---|---|
| Cosine metric | 0.8175 |
| Dice metric | 0.8157 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM442730
Similarity: 0.6691
Similarity to MM442730
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8018 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416973
Similarity: 0.6471
Similarity to MM416973
| Tanimoto metric | 0.6471 |
|---|---|
| Cosine metric | 0.8044 |
| Dice metric | 0.7857 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
