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DocumentationIdentifier: MM261512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261512 |
| SMILES |
O=CC(O)CC(O)CCO
|
| InChIKey |
BAHLSDBISJVHNS-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM261511
Similarity: 0.8333
Similarity to MM261511
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM236499
Similarity: 0.7444
Similarity to MM236499
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8535 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155732
Similarity: 0.7229
Similarity to MM155732
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8392 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+410 more
