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DocumentationIdentifier: MM246119
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246119 |
| SMILES |
CC(C=O)NC(=N)C(C)O
|
| InChIKey |
NXDPNTRQHNRQRG-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162512
Similarity: 0.7463
Similarity to MM162512
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM222647
Similarity: 0.6554
Similarity to MM222647
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.7953 |
| Dice metric | 0.7918 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM350477
Similarity: 0.622
Similarity to MM350477
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.7669 |
| Dice metric | 0.7669 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
