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DocumentationIdentifier: MM364097
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM364097 |
| SMILES |
O=C(C=COCCO)CO
|
| InChIKey |
DYLFFSBJVJVELR-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169845
Similarity: 0.8837
Similarity to MM169845
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9401 |
| Dice metric | 0.9383 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93047
Similarity: 0.7755
Similarity to MM93047
| Tanimoto metric | 0.7755 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8736 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364306
Similarity: 0.77
Similarity to MM364306
| Tanimoto metric | 0.77 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8701 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
