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DocumentationIdentifier: MM405629
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM405629 |
| SMILES |
OCC=CCC(CO)CO
|
| InChIKey |
YOFCXBPUIVLDNY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199422
Similarity: 0.8615
Similarity to MM199422
| Tanimoto metric | 0.8615 |
|---|---|
| Cosine metric | 0.9282 |
| Dice metric | 0.9256 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356044
Similarity: 0.7385
Similarity to MM356044
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8496 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406056
Similarity: 0.6914
Similarity to MM406056
| Tanimoto metric | 0.6914 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8175 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+743 more
