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DocumentationIdentifier: MM236499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236499 |
| SMILES |
CC(O)CC(O)CCC=O
|
| InChIKey |
JPIPFDTZBWNZSD-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
MM261511
Similarity: 0.8571
Similarity to MM261511
| 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
|
MM155732
Similarity: 0.8108
Similarity to MM155732
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291226
Similarity: 0.75
Similarity to MM291226
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8585 |
| Dice metric | 0.8571 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+510 more
