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DocumentationIdentifier: MM300885
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM300885 |
| SMILES |
CC(N)C(O)CCCCO
|
| InChIKey |
RCLPYXQKFZCGDT-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
MM161939
Similarity: 0.8824
Similarity to MM161939
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254483
Similarity: 0.7476
Similarity to MM254483
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8569 |
| Dice metric | 0.8556 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM254482
Similarity: 0.7426
Similarity to MM254482
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8523 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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