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DocumentationIdentifier: MM308230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308230 |
| SMILES |
C=CCOC(C)(CO)CO
|
| InChIKey |
KTBYUDUUWFYGSJ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138300
Similarity: 0.825
Similarity to MM138300
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42154
Similarity: 0.7875
Similarity to MM42154
| Tanimoto metric | 0.7875 |
|---|---|
| Cosine metric | 0.8874 |
| Dice metric | 0.8811 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228988
Similarity: 0.7241
Similarity to MM228988
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.84 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
