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DocumentationIdentifier: MM75323
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75323 |
| SMILES |
O=CCC(=CCO)OC=O
|
| InChIKey |
HDIDYGBFBYPJMB-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178626
Similarity: 0.7863
Similarity to MM178626
| Tanimoto metric | 0.7863 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8804 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304356
Similarity: 0.6788
Similarity to MM304356
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8087 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304511
Similarity: 0.6319
Similarity to MM304511
| Tanimoto metric | 0.6319 |
|---|---|
| Cosine metric | 0.7745 |
| Dice metric | 0.7745 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+139 more
