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DocumentationIdentifier: MM60238
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60238 |
| SMILES |
NC(N)=CC(=O)CCC=O
|
| InChIKey |
MVIPYHWWIYVCEB-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM24041
Similarity: 0.875
Similarity to MM24041
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM238121
Similarity: 0.8144
Similarity to MM238121
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8977 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46445
Similarity: 0.7955
Similarity to MM46445
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8861 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+251 more
