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DocumentationIdentifier: MM386215
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386215 |
| SMILES |
C=CCC(C=O)=CCOC
|
| InChIKey |
VZMNTWVZWNFEKQ-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.33
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: 0.7018
Similarity to MM438475
| Tanimoto metric | 0.7018 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8247 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386032
Similarity: 0.6695
Similarity to MM386032
| Tanimoto metric | 0.6695 |
|---|---|
| Cosine metric | 0.8021 |
| Dice metric | 0.802 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159552
Similarity: 0.66
Similarity to MM159552
| Tanimoto metric | 0.66 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.7952 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
