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DocumentationIdentifier: MM387977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387977 |
| SMILES |
CCC(C(C)O)C(C)C=O
|
| InChIKey |
GAILKYLUYHVHDV-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47255
Similarity: 0.8632
Similarity to MM47255
| Tanimoto metric | 0.8632 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9266 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306674
Similarity: 0.8586
Similarity to MM306674
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9244 |
| Dice metric | 0.9239 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348324
Similarity: 0.7456
Similarity to MM348324
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8543 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+415 more
