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DocumentationIdentifier: MM372478
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372478 |
| SMILES |
CC(CN)CC=COC=O
|
| InChIKey |
ZZMSMFILRRHLOS-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM86356
Similarity: 0.7703
Similarity to MM86356
| Tanimoto metric | 0.7703 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8702 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405639
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Similarity to MM405639
| Tanimoto metric | 0.7561 |
|---|---|
| Cosine metric | 0.8614 |
| Dice metric | 0.8611 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372319
Similarity: 0.7294
Similarity to MM372319
| Tanimoto metric | 0.7294 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8435 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+636 more
