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DocumentationIdentifier: MM386032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386032 |
| SMILES |
COCC=C(C=O)CCO
|
| InChIKey |
CJLASKXCYDMDSF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM438475
Similarity: 0.7054
Similarity to MM438475
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8272 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38063
Similarity: 0.6804
Similarity to MM38063
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8098 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386215
Similarity: 0.6695
Similarity to MM386215
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.8021 |
| Dice metric | 0.802 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+407 more
