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DocumentationIdentifier: MM40598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40598 |
| SMILES |
C=CC(C=C)C(=O)CNC
|
| InChIKey |
FNRNDTYLRPRQNI-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM38862
Similarity: 0.8812
Similarity to MM38862
| Tanimoto metric | 0.8812 |
|---|---|
| Cosine metric | 0.9387 |
| Dice metric | 0.9368 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242319
Similarity: 0.712
Similarity to MM242319
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8318 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM294610
Similarity: 0.7063
Similarity to MM294610
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8294 |
| Dice metric | 0.8279 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+71 more
