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DocumentationIdentifier: MM281850
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281850 |
| SMILES |
C=C(C=CCCC)CC=O
|
| InChIKey |
OHQYBTNTOGYDMH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364216
Similarity: 0.863
Similarity to MM364216
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.9274 |
| Dice metric | 0.9265 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281932
Similarity: 0.8481
Similarity to MM281932
| Tanimoto metric | 0.8481 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9178 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281934
Similarity: 0.8442
Similarity to MM281934
| Tanimoto metric | 0.8442 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9155 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+803 more
