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DocumentationIdentifier: MM261511
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261511 |
| SMILES |
CCCC(O)CC(O)C=O
|
| InChIKey |
JHMVYIVZWQBDSY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM236499
Similarity: 0.8571
Similarity to MM236499
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9231 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM261512
Similarity: 0.8333
Similarity to MM261512
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9091 |
| Dice metric | 0.9091 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244765
Similarity: 0.7115
Similarity to MM244765
| Tanimoto metric | 0.7115 |
|---|---|
| Cosine metric | 0.834 |
| Dice metric | 0.8315 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+403 more
