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DocumentationIdentifier: MM239351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239351 |
| SMILES |
CC(C)(CO)NCCCO
|
| InChIKey |
RASFTWQQTXTOIC-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
MM138169
Similarity: 0.8904
Similarity to MM138169
| Tanimoto metric | 0.8904 |
|---|---|
| Cosine metric | 0.9436 |
| Dice metric | 0.942 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM227806
Similarity: 0.7831
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| Tanimoto metric | 0.7831 |
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| Cosine metric | 0.8785 |
| Dice metric | 0.8784 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84267
Similarity: 0.7831
Similarity to MM84267
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8784 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
