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DocumentationIdentifier: MM400783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM400783 |
| SMILES |
C=CN(C=O)C(C#N)CC
|
| InChIKey |
MYVUHMBCXRQHNL-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53315
Similarity: 0.6884
Similarity to MM53315
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8297 |
| Dice metric | 0.8155 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24003
Similarity: 0.6812
Similarity to MM24003
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8103 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376719
Similarity: 0.5595
Similarity to MM376719
| Tanimoto metric | 0.5595 |
|---|---|
| Cosine metric | 0.7186 |
| Dice metric | 0.7176 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+109 more
