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DocumentationIdentifier: MM370140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM370140 |
| SMILES |
C#CC=CCCC(=O)C#C
|
| InChIKey |
HXSZFIVWCRTLCO-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167617
Similarity: 0.878
Similarity to MM167617
| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370011
Similarity: 0.8372
Similarity to MM370011
| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9114 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM370074
Similarity: 0.7826
Similarity to MM370074
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.878 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
