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DocumentationIdentifier: MM369494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369494 |
| SMILES |
C#CC(=O)C#CC#CC=O
|
| InChIKey |
FAPSBSGYRXONSL-UHFFFAOYSA-N
|
| MW [Da] |
130.1
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM369480
Similarity: 0.9375
Similarity to MM369480
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9677 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170890
Similarity: 0.9355
Similarity to MM170890
| Tanimoto metric | 0.9355 |
|---|---|
| Cosine metric | 0.9672 |
| Dice metric | 0.9667 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283330
Similarity: 0.9063
Similarity to MM283330
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.9509 |
| Dice metric | 0.9508 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
