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DocumentationIdentifier: MM291172
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291172 |
| SMILES |
CNCC(O)COCCO
|
| InChIKey |
UZMAJQCKBYRHNQ-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155683
Similarity: 0.9136
Similarity to MM155683
| Tanimoto metric | 0.9136 |
|---|---|
| Cosine metric | 0.9558 |
| Dice metric | 0.9548 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70598
Similarity: 0.8621
Similarity to MM70598
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9259 |
| Dice metric | 0.9259 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291171
Similarity: 0.8315
Similarity to MM291171
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
