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DocumentationIdentifier: MM369991
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369991 |
| SMILES |
C#CC=COCC(=O)C=C
|
| InChIKey |
KTVDRPYHAREIRD-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.91
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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MM167573
Similarity: 0.8222
Similarity to MM167573
| Tanimoto metric | 0.8222 |
|---|---|
| Cosine metric | 0.9068 |
| Dice metric | 0.9024 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91829
Similarity: 0.7255
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| Tanimoto metric | 0.7255 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8409 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM279440
Similarity: 0.6981
Similarity to MM279440
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8222 |
| Dice metric | 0.8222 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
