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DocumentationIdentifier: MM403232
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403232 |
| SMILES |
C=CCCCC(C=O)CC
|
| InChIKey |
KJVLUUVHBIDHPH-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387106
Similarity: 0.8
Similarity to MM387106
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8889 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166058
Similarity: 0.7941
Similarity to MM166058
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386871
Similarity: 0.7733
Similarity to MM386871
| Tanimoto metric | 0.7733 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8722 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+435 more
