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DocumentationIdentifier: MM378410
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378410 |
| SMILES |
C#CCN(C=N)C=CC=O
|
| InChIKey |
LREXYOZWERAGIK-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378424
Similarity: 0.7119
Similarity to MM378424
| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8317 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378378
Similarity: 0.672
Similarity to MM378378
| Tanimoto metric | 0.672 |
|---|---|
| Cosine metric | 0.8038 |
| Dice metric | 0.8038 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63966
Similarity: 0.6691
Similarity to MM63966
| Tanimoto metric | 0.6691 |
|---|---|
| Cosine metric | 0.8046 |
| Dice metric | 0.8018 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
