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DocumentationIdentifier: MM292790
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292790 |
| SMILES |
C=C(CNC)C(O)CCO
|
| InChIKey |
MKPGPGOYYTWUHG-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292789
Similarity: 0.7034
Similarity to MM292789
| Tanimoto metric | 0.7034 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8259 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350389
Similarity: 0.6939
Similarity to MM350389
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8193 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348827
Similarity: 0.6486
Similarity to MM348827
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7871 |
| Dice metric | 0.7869 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
