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DocumentationIdentifier: MM90146
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90146 |
| SMILES |
O=CC=C(C=O)OCCO
|
| InChIKey |
PRSLONLEPCTKRP-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179174
Similarity: 0.8039
Similarity to MM179174
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90213
Similarity: 0.7477
Similarity to MM90213
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8557 |
| MW: | 142.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47086
Similarity: 0.7451
Similarity to MM47086
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
