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DocumentationIdentifier: MM378012
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378012 |
| SMILES |
C#CCC(OC)C(=O)C#C
|
| InChIKey |
AUVJSBZDSNIBRO-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179927
Similarity: 0.808
Similarity to MM179927
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50233
Similarity: 0.712
Similarity to MM50233
| Tanimoto metric | 0.712 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8318 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413644
Similarity: 0.6987
Similarity to MM413644
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8226 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
