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DocumentationIdentifier: MM292456
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292456 |
| SMILES |
C#CCC(=O)COCCC
|
| InChIKey |
XIMIQIOPYQYSHX-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292457
Similarity: 0.8041
Similarity to MM292457
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8914 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251020
Similarity: 0.8041
Similarity to MM251020
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8914 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15849
Similarity: 0.7723
Similarity to MM15849
| Tanimoto metric | 0.7723 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8715 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+330 more
