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DocumentationIdentifier: MM59480
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM59480 |
| SMILES |
CC(=O)NCCCC(C)O
|
| InChIKey |
ATRYNQWDQMKMLH-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM152690
Similarity: 0.7701
Similarity to MM152690
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8701 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM310211
Similarity: 0.7126
Similarity to MM310211
| Tanimoto metric | 0.7126 |
|---|---|
| Cosine metric | 0.8442 |
| Dice metric | 0.8322 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM287085
Similarity: 0.6813
Similarity to MM287085
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8105 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+470 more
