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DocumentationIdentifier: MM382353
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382353 |
| SMILES |
C=CC=C(C=O)CCCC
|
| InChIKey |
RSFMCLKTNQLZHH-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
MM200058
Similarity: 0.7766
Similarity to MM200058
| Tanimoto metric | 0.7766 |
|---|---|
| Cosine metric | 0.8812 |
| Dice metric | 0.8743 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM414032
Similarity: 0.7353
Similarity to MM414032
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8491 |
| Dice metric | 0.8475 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM382042
Similarity: 0.7157
Similarity to MM382042
| Tanimoto metric | 0.7157 |
|---|---|
| Cosine metric | 0.8366 |
| Dice metric | 0.8343 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
