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DocumentationIdentifier: MM362408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362408 |
| SMILES |
N#CC(O)C(O)CCCO
|
| InChIKey |
LECHQSOODCRZRT-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM49992
Similarity: 0.8352
Similarity to MM49992
| Tanimoto metric | 0.8352 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9102 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84524
Similarity: 0.7379
Similarity to MM84524
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8492 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268367
Similarity: 0.708
Similarity to MM268367
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.829 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+365 more
