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DocumentationIdentifier: MM213907
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213907 |
| SMILES |
C#CC=COCCC=C
|
| InChIKey |
MTOQGXXHBBDPMZ-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126122
Similarity: 0.8596
Similarity to MM126122
| Tanimoto metric | 0.8596 |
|---|---|
| Cosine metric | 0.9272 |
| Dice metric | 0.9245 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM125846
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| Tanimoto metric | 0.7544 |
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| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM56206
Similarity: 0.7538
Similarity to MM56206
| Tanimoto metric | 0.7538 |
|---|---|
| Cosine metric | 0.8596 |
| Dice metric | 0.8596 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+637 more
