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DocumentationIdentifier: MM261634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261634 |
| SMILES |
N#CCC(O)CC(O)C#N
|
| InChIKey |
RZLLLULRCHYRRY-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64612
Similarity: 0.7701
Similarity to MM64612
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8701 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261513
Similarity: 0.7419
Similarity to MM261513
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8519 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84524
Similarity: 0.7071
Similarity to MM84524
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8284 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
