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DocumentationIdentifier: MM330496
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330496 |
| SMILES |
C=CC(=N)NC(C=C)C=C
|
| InChIKey |
SMSXAYHSAMAUQK-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142388
Similarity: 0.8966
Similarity to MM142388
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150127
Similarity: 0.8276
Similarity to MM150127
| Tanimoto metric | 0.8276 |
|---|---|
| Cosine metric | 0.9097 |
| Dice metric | 0.9057 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227093
Similarity: 0.7091
Similarity to MM227093
| Tanimoto metric | 0.7091 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8298 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
