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DocumentationIdentifier: MM77126
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77126 |
| SMILES |
CCC(O)(CO)CCC=O
|
| InChIKey |
AOBGGCJNECBIIP-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
MM235057
Similarity: 0.7967
Similarity to MM235057
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8869 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42124
Similarity: 0.7184
Similarity to MM42124
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8362 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138200
Similarity: 0.6893
Similarity to MM138200
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8161 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
