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DocumentationIdentifier: MM368905
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368905 |
| SMILES |
C#CC=CC#CC(=C)C#C
|
| InChIKey |
IORCNCASSQUHBO-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170840
Similarity: 0.9077
Similarity to MM170840
| Tanimoto metric | 0.9077 |
|---|---|
| Cosine metric | 0.9527 |
| Dice metric | 0.9516 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283321
Similarity: 0.831
Similarity to MM283321
| Tanimoto metric | 0.831 |
|---|---|
| Cosine metric | 0.9077 |
| Dice metric | 0.9077 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154750
Similarity: 0.8154
Similarity to MM154750
| Tanimoto metric | 0.8154 |
|---|---|
| Cosine metric | 0.903 |
| Dice metric | 0.8983 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+210 more
