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DocumentationIdentifier: MM321412
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM321412 |
| SMILES |
CC(C)C(C)CCNC=O
|
| InChIKey |
RBYVWVUMNREVNB-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM316045
Similarity: 0.8286
Similarity to MM316045
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM321676
Similarity: 0.7838
Similarity to MM321676
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8804 |
| Dice metric | 0.8788 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM85721
Similarity: 0.7632
Similarity to MM85721
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8665 |
| Dice metric | 0.8657 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
