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DocumentationIdentifier: MM408823
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM408823 |
| SMILES |
C=CN(CC)C(=O)CCO
|
| InChIKey |
PLTBLXIOUCFNPL-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173320
Similarity: 0.75
Similarity to MM173320
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378130
Similarity: 0.707
Similarity to MM378130
| Tanimoto metric | 0.707 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8284 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408818
Similarity: 0.6624
Similarity to MM408818
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.797 |
| Dice metric | 0.7969 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+491 more
