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DocumentationIdentifier: MM239281
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239281 |
| SMILES |
CCC(C)(O)CNCCO
|
| InChIKey |
WUXMZXDDXWXLHL-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138146
Similarity: 0.8947
Similarity to MM138146
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239280
Similarity: 0.87
Similarity to MM239280
| Tanimoto metric | 0.87 |
|---|---|
| Cosine metric | 0.9306 |
| Dice metric | 0.9305 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307813
Similarity: 0.7798
Similarity to MM307813
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8763 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+442 more
