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DocumentationIdentifier: MM400534
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400534 |
| SMILES |
N#CC(CO)C(CO)CO
|
| InChIKey |
OMPCKXBXSOUKQS-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM400701
Similarity: 0.7975
Similarity to MM400701
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.8873 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116007
Similarity: 0.7324
Similarity to MM116007
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM53236
Similarity: 0.6962
Similarity to MM53236
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8209 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+490 more
