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DocumentationIdentifier: MM224639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224639 |
| SMILES |
CC(C)(O)CCC(N)CO
|
| InChIKey |
WHIIWLLIAYVTTA-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130348
Similarity: 0.7895
Similarity to MM130348
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224638
Similarity: 0.7383
Similarity to MM224638
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8497 |
| Dice metric | 0.8495 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143986
Similarity: 0.6632
Similarity to MM143986
| Tanimoto metric | 0.6632 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.7975 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
