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DocumentationIdentifier: MM404261
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM404261 |
| SMILES |
C=COCCC(C=C)C=C
|
| InChIKey |
GNSJRLHCPYOWSH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM166087
Similarity: 0.8857
Similarity to MM166087
| Tanimoto metric | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199161
Similarity: 0.8143
Similarity to MM199161
| Tanimoto metric | 0.8143 |
|---|---|
| Cosine metric | 0.9024 |
| Dice metric | 0.8976 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239734
Similarity: 0.7381
Similarity to MM239734
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.85 |
| Dice metric | 0.8493 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
