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DocumentationIdentifier: MM307691
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307691 |
| SMILES |
OCCCC(O)(CO)CO
|
| InChIKey |
JGQMPCXWJFPBAC-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
-1.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138090
Similarity: 0.8313
Similarity to MM138090
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58224
Similarity: 0.7579
Similarity to MM58224
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8623 |
| Dice metric | 0.8623 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77074
Similarity: 0.7216
Similarity to MM77074
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8383 |
| Dice metric | 0.8383 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+632 more
