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DocumentationIdentifier: MM357008
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357008 |
| SMILES |
C=CC(C#N)N(C)CC=O
|
| InChIKey |
WFCFWIZAGSGIDR-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72493
Similarity: 0.6724
Similarity to MM72493
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27478
Similarity: 0.6692
Similarity to MM27478
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8018 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM422197
Similarity: 0.5594
Similarity to MM422197
| Tanimoto metric | 0.5594 |
|---|---|
| Cosine metric | 0.7181 |
| Dice metric | 0.7175 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
