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DocumentationIdentifier: MM307687
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307687 |
| SMILES |
NCC(O)(CO)CCCO
|
| InChIKey |
UFDPAYDWUHVBSJ-UHFFFAOYSA-N
|
| MW [Da] |
149.19
Automatically obtained from RDkit software. |
| LogP |
-1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138086
Similarity: 0.6842
Similarity to MM138086
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242971
Similarity: 0.6419
Similarity to MM242971
| Tanimoto metric | 0.6419 |
|---|---|
| Cosine metric | 0.7834 |
| Dice metric | 0.7819 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225969
Similarity: 0.6194
Similarity to MM225969
| Tanimoto metric | 0.6194 |
|---|---|
| Cosine metric | 0.766 |
| Dice metric | 0.765 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
